CID 5362664

42482-07-5

Structural Information

Molecular Formula
C20H34O3
SMILES
CCCCCCCCCCCCC/C=C/CC1CC(=O)OC1=O
InChI
InChI=1S/C20H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17-19(21)23-20(18)22/h14-15,18H,2-13,16-17H2,1H3/b15-14+
InChIKey
MZDVKESGWJINHY-CCEZHUSRSA-N
Compound name
3-[(E)-hexadec-2-enyl]oxolane-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

331
Patents

322.2508 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.25808 185.1
[M+Na]+ 345.24002 188.4
[M-H]- 321.24352 187.1
[M+NH4]+ 340.28462 200.0
[M+K]+ 361.21396 184.8
[M+H-H2O]+ 305.24806 178.3
[M+HCOO]- 367.24900 204.0
[M+CH3COO]- 381.26465 210.4
[M+Na-2H]- 343.22547 182.9
[M]+ 322.25025 190.3
[M]- 322.25135 190.3
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

patents stripe