CID 55290909

2-cyano-2-methylbutanamide

Structural Information

Molecular Formula
C6H10N2O
SMILES
CCC(C)(C#N)C(=O)N
InChI
InChI=1S/C6H10N2O/c1-3-6(2,4-7)5(8)9/h3H2,1-2H3,(H2,8,9)
InChIKey
UYTSIEFPLLPNDU-UHFFFAOYSA-N
Compound name
2-cyano-2-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

126.079315 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.08659 129.6
[M+Na]+ 149.06853 138.0
[M-H]- 125.07204 130.2
[M+NH4]+ 144.11314 149.1
[M+K]+ 165.04247 138.1
[M+H-H2O]+ 109.07658 118.7
[M+HCOO]- 171.07752 148.2
[M+CH3COO]- 185.09317 187.6
[M+Na-2H]- 147.05398 134.7
[M]+ 126.07877 123.6
[M]- 126.07986 123.6
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