CID 54593146

(2-chlorophenyl)methyl 2-aminoacetate hydrochloride

Structural Information

Molecular Formula
C9H10ClNO2
SMILES
C1=CC=C(C(=C1)COC(=O)CN)Cl
InChI
InChI=1S/C9H10ClNO2/c10-8-4-2-1-3-7(8)6-13-9(12)5-11/h1-4H,5-6,11H2
InChIKey
HMWUTBZVBOYLHE-UHFFFAOYSA-N
Compound name
(2-chlorophenyl)methyl 2-aminoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

199.04001 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.047286 140.0
[M+Na]+ 222.029228 148.3
[M-H]- 198.032734 143.3
[M+NH4]+ 217.073833 159.7
[M+K]+ 238.003168 144.9
[M+H-H2O]+ 182.037270 135.0
[M+HCOO]- 244.038211 160.1
[M+CH3COO]- 258.053861 183.8
[M+Na-2H]- 220.014676 145.0
[M]+ 199.03946142 142.0
[M]- 199.04055858 142.0
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