CID 9543674

9-octadecenedioic acid, (9z)-

Structural Information

Molecular Formula
C18H32O4
SMILES
C(CCC/C=C\CCCCCCCC(=O)O)CCCC(=O)O
InChI
InChI=1S/C18H32O4/c19-17(20)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22/h1-2H,3-16H2,(H,19,20)(H,21,22)/b2-1-
InChIKey
SBLKVIQSIHEQOF-UPHRSURJSA-N
Compound name
(Z)-octadec-9-enedioic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

12
References

3601
Patents

312.23007 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.23735 181.6
[M+Na]+ 335.21929 187.2
[M+NH4]+ 330.26389 184.8
[M+K]+ 351.19323 181.5
[M-H]- 311.22279 177.3
[M+Na-2H]- 333.20474 179.5
[M]+ 312.22952 180.5
[M]- 312.23062 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