CID 5894331

(2e)-2-methyl-3-(4-methylphenyl)prop-2-enoic acid

Structural Information

Molecular Formula
C11H12O2
SMILES
CC1=CC=C(C=C1)/C=C(\C)/C(=O)O
InChI
InChI=1S/C11H12O2/c1-8-3-5-10(6-4-8)7-9(2)11(12)13/h3-7H,1-2H3,(H,12,13)/b9-7+
InChIKey
OPOOYZXNEUXLBZ-VQHVLOKHSA-N
Compound name
(E)-2-methyl-3-(4-methylphenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

176.08372 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.090996 137.3
[M+Na]+ 199.072938 144.5
[M-H]- 175.076444 139.8
[M+NH4]+ 194.117543 156.9
[M+K]+ 215.046878 142.1
[M+H-H2O]+ 159.080980 132.0
[M+HCOO]- 221.081921 158.6
[M+CH3COO]- 235.097571 179.2
[M+Na-2H]- 197.058386 140.9
[M]+ 176.08317142 136.6
[M]- 176.08426858 136.6
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

patents stripe