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

literature stripe

Patent stripe

patents stripe