CID 5362664

Hexadec-2-enylsuccinic anhydride

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 184.9
[M+Na]+ 345.24002 192.6
[M+NH4]+ 340.28462 190.2
[M+K]+ 361.21396 186.5
[M-H]- 321.24352 185.6
[M+Na-2H]- 343.22547 184.4
[M]+ 322.25025 185.8
[M]- 322.25135 185.8
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