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]+ 187.063256 136.5
[M+Na]+ 209.045198 150.9
[M-H]- 185.048704 142.6
[M+NH4]+ 204.089803 152.3
[M+K]+ 225.019138 144.5
[M+H-H2O]+ 169.053240 128.2
[M+HCOO]- 231.054181 153.5
[M+CH3COO]- 245.069831 197.7
[M+Na-2H]- 207.030646 143.7
[M]+ 186.05543142 136.9
[M]- 186.05652858 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