CID 735795

2-cyano-n-(propan-2-yl)acetamide

Structural Information

Molecular Formula
C6H10N2O
SMILES
CC(C)NC(=O)CC#N
InChI
InChI=1S/C6H10N2O/c1-5(2)8-6(9)3-4-7/h5H,3H2,1-2H3,(H,8,9)
InChIKey
LOAHXFVORLJMML-UHFFFAOYSA-N
Compound name
2-cyano-N-propan-2-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

105
Patents

126.079315 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.08659 127.5
[M+Na]+ 149.06853 135.5
[M-H]- 125.07204 128.4
[M+NH4]+ 144.11314 147.2
[M+K]+ 165.04247 135.8
[M+H-H2O]+ 109.07658 116.1
[M+HCOO]- 171.07752 147.3
[M+CH3COO]- 185.09317 188.2
[M+Na-2H]- 147.05398 132.1
[M]+ 126.07877 122.4
[M]- 126.07986 122.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe