CID 12099230

7-hexadecenedioic acid, (7z)-

Structural Information

Molecular Formula
C16H28O4
SMILES
C(CCC/C=C\CCCCCC(=O)O)CCCC(=O)O
InChI
InChI=1S/C16H28O4/c17-15(18)13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(19)20/h1,3H,2,4-14H2,(H,17,18)(H,19,20)/b3-1-
InChIKey
NJNZHDLLCUGGBQ-IWQZZHSRSA-N
Compound name
(Z)-hexadec-7-enedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

56
Patents

284.19876 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.20604 173.7
[M+Na]+ 307.18798 176.3
[M-H]- 283.19148 169.4
[M+NH4]+ 302.23258 187.9
[M+K]+ 323.16192 172.7
[M+H-H2O]+ 267.19602 167.6
[M+HCOO]- 329.19696 190.8
[M+CH3COO]- 343.21261 198.3
[M+Na-2H]- 305.17343 172.0
[M]+ 284.19821 177.3
[M]- 284.19931 177.3
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