CID 80601

2-chloro-n-(2-hydroxyethyl)acetamide

Structural Information

Molecular Formula
C4H8ClNO2
SMILES
C(CO)NC(=O)CCl
InChI
InChI=1S/C4H8ClNO2/c5-3-4(8)6-1-2-7/h7H,1-3H2,(H,6,8)
InChIKey
YMURLKIIDQPXRE-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-hydroxyethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

137.02435 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.03163 125.0
[M+Na]+ 160.01357 132.6
[M-H]- 136.01707 124.1
[M+NH4]+ 155.05817 146.7
[M+K]+ 175.98751 130.5
[M+H-H2O]+ 120.02161 121.7
[M+HCOO]- 182.02255 144.2
[M+CH3COO]- 196.03820 170.3
[M+Na-2H]- 157.99902 131.1
[M]+ 137.02380 126.0
[M]- 137.02490 126.0
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