CID 12431569

(e)-10-oxodec-8-enoic acid

Structural Information

Molecular Formula
C10H16O3
SMILES
C(CCCC(=O)O)CC/C=C/C=O
InChI
InChI=1S/C10H16O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h5,7,9H,1-4,6,8H2,(H,12,13)/b7-5+
InChIKey
YUAQBOMIASXPQW-FNORWQNLSA-N
Compound name
(E)-10-oxodec-8-enoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

107
Patents

184.10994 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.11722 142.7
[M+Na]+ 207.09916 148.6
[M-H]- 183.10266 141.0
[M+NH4]+ 202.14376 161.9
[M+K]+ 223.07310 146.4
[M+H-H2O]+ 167.10720 137.7
[M+HCOO]- 229.10814 164.1
[M+CH3COO]- 243.12379 180.0
[M+Na-2H]- 205.08461 146.0
[M]+ 184.10939 145.2
[M]- 184.11049 145.2
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