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

18
Patents

132.00903 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.016306 124.0
[M+Na]+ 154.998248 133.8
[M-H]- 131.001754 125.0
[M+NH4]+ 150.042853 144.3
[M+K]+ 170.972188 132.0
[M+H-H2O]+ 115.006290 113.9
[M+HCOO]- 177.007231 141.3
[M+CH3COO]- 191.022881 185.4
[M+Na-2H]- 152.983696 130.3
[M]+ 132.00848142 120.4
[M]- 132.00957858 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