CID 458486

2-(3-chloropropanoylamino)acetic acid

Structural Information

Molecular Formula
C5H8ClNO3
SMILES
C(CCl)C(=O)NCC(=O)O
InChI
InChI=1S/C5H8ClNO3/c6-2-1-4(8)7-3-5(9)10/h1-3H2,(H,7,8)(H,9,10)
InChIKey
GEHCUUQTDSTLHM-UHFFFAOYSA-N
Compound name
2-(3-chloropropanoylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

165.01927 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.02655 130.9
[M+Na]+ 188.00849 138.2
[M-H]- 164.01199 130.0
[M+NH4]+ 183.05309 151.3
[M+K]+ 203.98243 136.1
[M+H-H2O]+ 148.01653 127.3
[M+HCOO]- 210.01747 149.3
[M+CH3COO]- 224.03312 175.4
[M+Na-2H]- 185.99394 135.3
[M]+ 165.01872 132.5
[M]- 165.01982 132.5
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.