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

0
Patents

199.04001 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.04729 140.0
[M+Na]+ 222.02923 148.3
[M-H]- 198.03273 143.3
[M+NH4]+ 217.07383 159.7
[M+K]+ 238.00317 144.9
[M+H-H2O]+ 182.03727 135.0
[M+HCOO]- 244.03821 160.1
[M+CH3COO]- 258.05386 183.8
[M+Na-2H]- 220.01468 145.0
[M]+ 199.03946 142.0
[M]- 199.04056 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

No patent data available for this compound.