CID 112520

2-propenoic acid, 3-(4-aminophenyl)-2-methyl-, hydrochloride

Structural Information

Molecular Formula
C10H11NO2
SMILES
CC(=CC1=CC=C(C=C1)N)C(=O)O
InChI
InChI=1S/C10H11NO2/c1-7(10(12)13)6-8-2-4-9(11)5-3-8/h2-6H,11H2,1H3,(H,12,13)
InChIKey
MUYUDVPKJZCBOA-UHFFFAOYSA-N
Compound name
3-(4-aminophenyl)-2-methylprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

177.07898 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.086256 138.2
[M+Na]+ 200.068198 144.9
[M-H]- 176.071704 140.2
[M+NH4]+ 195.112803 157.1
[M+K]+ 216.042138 142.3
[M+H-H2O]+ 160.076240 132.5
[M+HCOO]- 222.077181 160.2
[M+CH3COO]- 236.092831 180.5
[M+Na-2H]- 198.053646 141.3
[M]+ 177.07843142 135.3
[M]- 177.07952858 135.3
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