CID 1713084

(z)-9-oxodec-2-enoic acid

Structural Information

Molecular Formula
C10H16O3
SMILES
CC(=O)CCCCC/C=C\C(=O)O
InChI
InChI=1S/C10H16O3/c1-9(11)7-5-3-2-4-6-8-10(12)13/h6,8H,2-5,7H2,1H3,(H,12,13)/b8-6-
InChIKey
INJRDZMWIAYEMM-VURMDHGXSA-N
Compound name
(Z)-9-oxodec-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

103
Patents

184.10994 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.11722 143.1
[M+Na]+ 207.09916 148.7
[M-H]- 183.10266 141.5
[M+NH4]+ 202.14376 162.2
[M+K]+ 223.07310 147.0
[M+H-H2O]+ 167.10720 138.2
[M+HCOO]- 229.10814 163.4
[M+CH3COO]- 243.12379 180.8
[M+Na-2H]- 205.08461 145.1
[M]+ 184.10939 144.9
[M]- 184.11049 144.9
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