CID 10899254

Methyl 2-(2-aminoethyl)benzoate hydrochloride

Structural Information

Molecular Formula
C10H13NO2
SMILES
COC(=O)C1=CC=CC=C1CCN
InChI
InChI=1S/C10H13NO2/c1-13-10(12)9-5-3-2-4-8(9)6-7-11/h2-5H,6-7,11H2,1H3
InChIKey
IYDBWBQCKQHHPA-UHFFFAOYSA-N
Compound name
methyl 2-(2-aminoethyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

179.09464 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.10192 138.6
[M+Na]+ 202.08386 145.7
[M-H]- 178.08736 141.9
[M+NH4]+ 197.12846 158.3
[M+K]+ 218.05780 144.1
[M+H-H2O]+ 162.09190 132.5
[M+HCOO]- 224.09284 162.9
[M+CH3COO]- 238.10849 183.0
[M+Na-2H]- 200.06931 143.5
[M]+ 179.09409 138.9
[M]- 179.09519 138.9
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