CID 233485

N-chloroacetylglycine

Structural Information

Molecular Formula
C4H6ClNO3
SMILES
C(C(=O)O)NC(=O)CCl
InChI
InChI=1S/C4H6ClNO3/c5-1-3(7)6-2-4(8)9/h1-2H2,(H,6,7)(H,8,9)
InChIKey
DLDTUYIGYMNERN-UHFFFAOYSA-N
Compound name
2-[(2-chloroacetyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

170
Patents

151.00362 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.01090 126.2
[M+Na]+ 173.99284 133.9
[M-H]- 149.99634 125.5
[M+NH4]+ 169.03744 147.1
[M+K]+ 189.96678 132.1
[M+H-H2O]+ 134.00088 122.9
[M+HCOO]- 196.00182 144.9
[M+CH3COO]- 210.01747 172.4
[M+Na-2H]- 171.97829 131.2
[M]+ 151.00307 127.4
[M]- 151.00417 127.4
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