CID 2063448

3-methylcinnamic acid

Structural Information

Molecular Formula
C10H10O2
SMILES
CC1=CC(=CC=C1)/C=C/C(=O)O
InChI
InChI=1S/C10H10O2/c1-8-3-2-4-9(7-8)5-6-10(11)12/h2-7H,1H3,(H,11,12)/b6-5+
InChIKey
JZINNAKNHHQBOS-AATRIKPKSA-N
Compound name
(E)-3-(3-methylphenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

662
Patents

162.06808 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.07536 134.1
[M+Na]+ 185.05730 146.6
[M+NH4]+ 180.10190 142.0
[M+K]+ 201.03124 140.4
[M-H]- 161.06080 135.3
[M+Na-2H]- 183.04275 140.3
[M]+ 162.06753 136.0
[M]- 162.06863 136.0
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