CID 6043265

2-(1-tetradecenyl)succinic anhydride

Structural Information

Molecular Formula
C18H30O3
SMILES
CCCCCCCCCCCC/C=C/C1CC(=O)OC1=O
InChI
InChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-15-17(19)21-18(16)20/h13-14,16H,2-12,15H2,1H3/b14-13+
InChIKey
URVNZJUYUMEJFZ-BUHFOSPRSA-N
Compound name
3-[(E)-tetradec-1-enyl]oxolane-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

644
Patents

294.21948 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.226756 176.0
[M+Na]+ 317.208698 180.2
[M-H]- 293.212204 178.4
[M+NH4]+ 312.253303 192.1
[M+K]+ 333.182638 177.1
[M+H-H2O]+ 277.216740 169.6
[M+HCOO]- 339.217681 195.6
[M+CH3COO]- 353.233331 204.4
[M+Na-2H]- 315.194146 174.9
[M]+ 294.21893142 180.5
[M]- 294.22002858 180.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe