CID 13782745

2-(2-aminoethyl)benzoic acid hydrochloride

Structural Information

Molecular Formula
C9H11NO2
SMILES
C1=CC=C(C(=C1)CCN)C(=O)O
InChI
InChI=1S/C9H11NO2/c10-6-5-7-3-1-2-4-8(7)9(11)12/h1-4H,5-6,10H2,(H,11,12)
InChIKey
OZCUCQLHGQMOAV-UHFFFAOYSA-N
Compound name
2-(2-aminoethyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

165.07898 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.086256 134.3
[M+Na]+ 188.068198 141.3
[M-H]- 164.071704 136.3
[M+NH4]+ 183.112803 153.7
[M+K]+ 204.042138 139.0
[M+H-H2O]+ 148.076240 128.6
[M+HCOO]- 210.077181 157.4
[M+CH3COO]- 224.092831 178.1
[M+Na-2H]- 186.053646 139.2
[M]+ 165.07843142 132.4
[M]- 165.07952858 132.4
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