CID 15280940

Methyl 2-{[(2-chlorophenyl)methyl]amino}acetate hydrochloride

Structural Information

Molecular Formula
C10H12ClNO2
SMILES
COC(=O)CNCC1=CC=CC=C1Cl
InChI
InChI=1S/C10H12ClNO2/c1-14-10(13)7-12-6-8-4-2-3-5-9(8)11/h2-5,12H,6-7H2,1H3
InChIKey
WEPDHMPDYCDFON-UHFFFAOYSA-N
Compound name
methyl 2-[(2-chlorophenyl)methylamino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

213.05565 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.062926 144.1
[M+Na]+ 236.044868 152.0
[M-H]- 212.048374 147.8
[M+NH4]+ 231.089473 163.6
[M+K]+ 252.018808 148.7
[M+H-H2O]+ 196.052910 138.9
[M+HCOO]- 258.053851 164.6
[M+CH3COO]- 272.069501 187.4
[M+Na-2H]- 234.030316 149.7
[M]+ 213.05510142 147.6
[M]- 213.05619858 147.6
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