CID 10442150

(e)-4-hydroxynon-2-enoate

Structural Information

Molecular Formula
C9H16O3
SMILES
CCCCCC(/C=C/C(=O)O)O
InChI
InChI=1S/C9H16O3/c1-2-3-4-5-8(10)6-7-9(11)12/h6-8,10H,2-5H2,1H3,(H,11,12)/b7-6+
InChIKey
RLNIWODKAMVILO-VOTSOKGWSA-N
Compound name
(E)-4-hydroxynon-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

103
Patents

172.10994 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.117216 141.0
[M+Na]+ 195.099158 146.3
[M-H]- 171.102664 138.1
[M+NH4]+ 190.143763 159.9
[M+K]+ 211.073098 144.6
[M+H-H2O]+ 155.107200 136.4
[M+HCOO]- 217.108141 160.0
[M+CH3COO]- 231.123791 176.1
[M+Na-2H]- 193.084606 142.9
[M]+ 172.10939142 141.1
[M]- 172.11048858 141.1
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