CID 22833445

4-[(z)-heptadec-8-enyl]-3-[(z)-hexadec-7-enyl]oxetan-2-one

Structural Information

Molecular Formula
C36H66O2
SMILES
CCCCCCCC/C=C\CCCCCCCC1C(C(=O)O1)CCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C36H66O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34(36(37)38-35)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,34-35H,3-16,21-33H2,1-2H3/b19-17-,20-18-
InChIKey
NTLJTEOZVLQFPY-CLFAGFIQSA-N
Compound name
4-[(Z)-heptadec-8-enyl]-3-[(Z)-hexadec-7-enyl]oxetan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

530.5063 Da
Monoisotopic Mass

15.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 531.513576 250.2
[M+Na]+ 553.495518 246.0
[M-H]- 529.499024 249.2
[M+NH4]+ 548.540123 242.4
[M+K]+ 569.469458 241.3
[M+H-H2O]+ 513.503560 235.4
[M+HCOO]- 575.504501 261.6
[M+CH3COO]- 589.520151 257.6
[M+Na-2H]- 551.480966 240.9
[M]+ 530.50575142 269.6
[M]- 530.50684858 269.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.