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

67
Patents

177.07898 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.08626 138.2
[M+Na]+ 200.06820 144.9
[M-H]- 176.07170 140.2
[M+NH4]+ 195.11280 157.1
[M+K]+ 216.04214 142.3
[M+H-H2O]+ 160.07624 132.5
[M+HCOO]- 222.07718 160.2
[M+CH3COO]- 236.09283 180.5
[M+Na-2H]- 198.05365 141.3
[M]+ 177.07843 135.3
[M]- 177.07953 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