CID 3713387

2-chloro-n-(1-cyano-1-cyclopropylethyl)acetamide

Structural Information

Molecular Formula
C8H11ClN2O
SMILES
CC(C#N)(C1CC1)NC(=O)CCl
InChI
InChI=1S/C8H11ClN2O/c1-8(5-10,6-2-3-6)11-7(12)4-9/h6H,2-4H2,1H3,(H,11,12)
InChIKey
MKSQURQXAPQYAE-UHFFFAOYSA-N
Compound name
2-chloro-N-(1-cyano-1-cyclopropylethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.05598 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.06326 136.5
[M+Na]+ 209.04520 150.9
[M-H]- 185.04870 142.6
[M+NH4]+ 204.08980 152.3
[M+K]+ 225.01914 144.5
[M+H-H2O]+ 169.05324 128.2
[M+HCOO]- 231.05418 153.5
[M+CH3COO]- 245.06983 197.7
[M+Na-2H]- 207.03065 143.7
[M]+ 186.05543 136.9
[M]- 186.05653 136.9
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