CID 294515

Chloroacetyl-dl-serine

Structural Information

Molecular Formula
C5H8ClNO4
SMILES
C(C(C(=O)O)NC(=O)CCl)O
InChI
InChI=1S/C5H8ClNO4/c6-1-4(9)7-3(2-8)5(10)11/h3,8H,1-2H2,(H,7,9)(H,10,11)
InChIKey
SGCJRDDJGFXEAB-UHFFFAOYSA-N
Compound name
2-[(2-chloroacetyl)amino]-3-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

181.01419 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.02147 133.6
[M+Na]+ 204.00341 140.1
[M-H]- 180.00691 131.4
[M+NH4]+ 199.04801 152.5
[M+K]+ 219.97735 138.2
[M+H-H2O]+ 164.01145 130.1
[M+HCOO]- 226.01239 149.8
[M+CH3COO]- 240.02804 176.0
[M+Na-2H]- 201.98886 136.3
[M]+ 181.01364 134.1
[M]- 181.01474 134.1
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