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]+ 155.11789 135.2
[M+Na]+ 177.09983 142.6
[M-H]- 153.10333 137.1
[M+NH4]+ 172.14443 154.4
[M+K]+ 193.07377 143.6
[M+H-H2O]+ 137.10787 123.3
[M+HCOO]- 199.10881 154.8
[M+CH3COO]- 213.12446 196.8
[M+Na-2H]- 175.08528 138.2
[M]+ 154.11006 131.8
[M]- 154.11116 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.