CID 93997

Einecs 261-179-0

Structural Information

Molecular Formula
C22H38O3
SMILES
CC(C)CCCCC=CCCCCCCCCCC1CC(=O)OC1=O
InChI
InChI=1S/C22H38O3/c1-19(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20-18-21(23)25-22(20)24/h6,8,19-20H,3-5,7,9-18H2,1-2H3
InChIKey
SJSHEXCFGWSYAD-UHFFFAOYSA-N
Compound name
3-(16-methylheptadec-10-enyl)oxolane-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.2821 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.28938 195.0
[M+Na]+ 373.27132 197.2
[M-H]- 349.27482 196.7
[M+NH4]+ 368.31592 208.8
[M+K]+ 389.24526 193.6
[M+H-H2O]+ 333.27936 188.1
[M+HCOO]- 395.28030 212.3
[M+CH3COO]- 409.29595 217.1
[M+Na-2H]- 371.25677 190.6
[M]+ 350.28155 200.3
[M]- 350.28265 200.3
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

No patent data available for this compound.