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

11
Patents

126.079315 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.086591 129.6
[M+Na]+ 149.068533 138.0
[M-H]- 125.072039 130.2
[M+NH4]+ 144.113138 149.1
[M+K]+ 165.042473 138.1
[M+H-H2O]+ 109.076575 118.7
[M+HCOO]- 171.077516 148.2
[M+CH3COO]- 185.093166 187.6
[M+Na-2H]- 147.053981 134.7
[M]+ 126.07876642 123.6
[M]- 126.07986358 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