CID 6437902

Dodecenylsuccinic anhydride methyl acid ester

Structural Information

Molecular Formula
C17H30O4
SMILES
CCCC/C=C/CCCCCCC(CC(=O)O)C(=O)OC
InChI
InChI=1S/C17H30O4/c1-3-4-5-6-7-8-9-10-11-12-13-15(14-16(18)19)17(20)21-2/h6-7,15H,3-5,8-14H2,1-2H3,(H,18,19)/b7-6+
InChIKey
VSPIKCBVTKGIEO-VOTSOKGWSA-N
Compound name
(E)-3-methoxycarbonylpentadec-10-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

298.21442 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.22170 178.4
[M+Na]+ 321.20364 180.9
[M-H]- 297.20714 175.5
[M+NH4]+ 316.24824 192.8
[M+K]+ 337.17758 178.4
[M+H-H2O]+ 281.21168 172.0
[M+HCOO]- 343.21262 195.6
[M+CH3COO]- 357.22827 204.0
[M+Na-2H]- 319.18909 175.4
[M]+ 298.21387 183.5
[M]- 298.21497 183.5
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.