CID 22111826

4-amino-3-cyclopropylbenzoic acid

Structural Information

Molecular Formula
C10H11NO2
SMILES
C1CC1C2=C(C=CC(=C2)C(=O)O)N
InChI
InChI=1S/C10H11NO2/c11-9-4-3-7(10(12)13)5-8(9)6-1-2-6/h3-6H,1-2,11H2,(H,12,13)
InChIKey
IQENRSYKXKPHPP-UHFFFAOYSA-N
Compound name
4-amino-3-cyclopropylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

177.07898 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.086256 132.8
[M+Na]+ 200.068198 142.2
[M-H]- 176.071704 139.2
[M+NH4]+ 195.112803 147.2
[M+K]+ 216.042138 138.5
[M+H-H2O]+ 160.076240 126.8
[M+HCOO]- 222.077181 156.1
[M+CH3COO]- 236.092831 184.2
[M+Na-2H]- 198.053646 137.5
[M]+ 177.07843142 133.2
[M]- 177.07952858 133.2
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