CID 301761

2-[benzyl(methyl)amino]acetic acid hydrochloride

Structural Information

Molecular Formula
C10H13NO2
SMILES
CN(CC1=CC=CC=C1)CC(=O)O
InChI
InChI=1S/C10H13NO2/c1-11(8-10(12)13)7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,13)
InChIKey
OZKZHAPLKMRAQT-UHFFFAOYSA-N
Compound name
2-[benzyl(methyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

426
Patents

179.09464 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.10192 138.7
[M+Na]+ 202.08386 144.4
[M-H]- 178.08736 142.1
[M+NH4]+ 197.12846 158.1
[M+K]+ 218.05780 143.6
[M+H-H2O]+ 162.09190 132.3
[M+HCOO]- 224.09284 162.6
[M+CH3COO]- 238.10849 184.0
[M+Na-2H]- 200.06931 144.1
[M]+ 179.09409 139.1
[M]- 179.09519 139.1
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