CID 15567857

2-chloro-n-(cyanomethyl)acetamide

Structural Information

Molecular Formula
C4H5ClN2O
SMILES
C(C#N)NC(=O)CCl
InChI
InChI=1S/C4H5ClN2O/c5-3-4(8)7-2-1-6/h2-3H2,(H,7,8)
InChIKey
BLGRCGIMBCJLMZ-UHFFFAOYSA-N
Compound name
2-chloro-N-(cyanomethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

132.00903 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.01631 124.0
[M+Na]+ 154.99825 133.8
[M-H]- 131.00175 125.0
[M+NH4]+ 150.04285 144.3
[M+K]+ 170.97219 132.0
[M+H-H2O]+ 115.00629 113.9
[M+HCOO]- 177.00723 141.3
[M+CH3COO]- 191.02288 185.4
[M+Na-2H]- 152.98370 130.3
[M]+ 132.00848 120.4
[M]- 132.00958 120.4
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