CID 1988455

N-(2-cyanoethyl)-n-methylacetamide

Structural Information

Molecular Formula
C6H10N2O
SMILES
CC(=O)N(C)CCC#N
InChI
InChI=1S/C6H10N2O/c1-6(9)8(2)5-3-4-7/h3,5H2,1-2H3
InChIKey
XVWNWBDQUDOFRY-UHFFFAOYSA-N
Compound name
N-(2-cyanoethyl)-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

126.079315 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.086591 125.8
[M+Na]+ 149.068533 134.2
[M-H]- 125.072039 128.0
[M+NH4]+ 144.113138 146.2
[M+K]+ 165.042473 135.3
[M+H-H2O]+ 109.076575 114.2
[M+HCOO]- 171.077516 147.0
[M+CH3COO]- 185.093166 190.6
[M+Na-2H]- 147.053981 131.0
[M]+ 126.07876642 122.5
[M]- 126.07986358 122.5
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