CID 6019831

59150-87-7

Structural Information

Molecular Formula
C11H12O3
SMILES
CC/C(=C\C1=CC(=CC=C1)O)/C(=O)O
InChI
InChI=1S/C11H12O3/c1-2-9(11(13)14)6-8-4-3-5-10(12)7-8/h3-7,12H,2H2,1H3,(H,13,14)/b9-6+
InChIKey
JGVQTQGCFDAAOM-RMKNXTFCSA-N
Compound name
(2E)-2-[(3-hydroxyphenyl)methylidene]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

192.07864 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08592 141.3
[M+Na]+ 215.06786 148.0
[M-H]- 191.07136 142.3
[M+NH4]+ 210.11246 159.5
[M+K]+ 231.04180 145.2
[M+H-H2O]+ 175.07590 136.0
[M+HCOO]- 237.07684 161.3
[M+CH3COO]- 251.09249 178.7
[M+Na-2H]- 213.05331 144.3
[M]+ 192.07809 140.2
[M]- 192.07919 140.2
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

No patent data available for this compound.