CID 61118808

N-(1-cyano-1-methylpropyl)-2-methylbutanamide

Structural Information

Molecular Formula
C10H18N2O
SMILES
CCC(C)C(=O)NC(C)(CC)C#N
InChI
InChI=1S/C10H18N2O/c1-5-8(3)9(13)12-10(4,6-2)7-11/h8H,5-6H2,1-4H3,(H,12,13)
InChIKey
NJJBYLAINBQCBV-UHFFFAOYSA-N
Compound name
N-(2-cyanobutan-2-yl)-2-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.1419 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.149176 146.0
[M+Na]+ 205.131118 152.8
[M-H]- 181.134624 146.6
[M+NH4]+ 200.175723 163.9
[M+K]+ 221.105058 152.8
[M+H-H2O]+ 165.139160 134.6
[M+HCOO]- 227.140101 163.3
[M+CH3COO]- 241.155751 199.3
[M+Na-2H]- 203.116566 149.1
[M]+ 182.14135142 141.7
[M]- 182.14244858 141.7
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.