CID 61586143

N-(2-cyanoethyl)-n-(propan-2-yl)acetamide

Structural Information

Molecular Formula
C8H14N2O
SMILES
CC(C)N(CCC#N)C(=O)C
InChI
InChI=1S/C8H14N2O/c1-7(2)10(8(3)11)6-4-5-9/h7H,4,6H2,1-3H3
InChIKey
HKVGAGYVMVALPD-UHFFFAOYSA-N
Compound name
N-(2-cyanoethyl)-N-propan-2-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.11061 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.117886 135.2
[M+Na]+ 177.099828 142.6
[M-H]- 153.103334 137.1
[M+NH4]+ 172.144433 154.4
[M+K]+ 193.073768 143.6
[M+H-H2O]+ 137.107870 123.3
[M+HCOO]- 199.108811 154.8
[M+CH3COO]- 213.124461 196.8
[M+Na-2H]- 175.085276 138.2
[M]+ 154.11006142 131.8
[M]- 154.11115858 131.8
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

No patent data available for this compound.