CID 6437278

Einecs 267-344-3

Structural Information

Molecular Formula
C34H64O2
SMILES
CCCCCCCCCCCCCCCCC1/C(=C\CCCCCCCCCCCCCC)/OC1=O
InChI
InChI=1S/C34H64O2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-33(36-34(32)35)31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h31-32H,3-30H2,1-2H3/b33-31+
InChIKey
XPBFTRCBWYTEOD-QOSDPKFLSA-N
Compound name
(4E)-3-hexadecyl-4-pentadecylideneoxetan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

504.49063 Da
Monoisotopic Mass

16.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.49791 243.0
[M+Na]+ 527.47985 239.2
[M-H]- 503.48335 242.3
[M+NH4]+ 522.52445 237.5
[M+K]+ 543.45379 235.6
[M+H-H2O]+ 487.48789 228.4
[M+HCOO]- 549.48883 256.9
[M+CH3COO]- 563.50448 253.3
[M+Na-2H]- 525.46530 234.6
[M]+ 504.49008 262.4
[M]- 504.49118 262.4
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.