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]+ 183.14918 146.0
[M+Na]+ 205.13112 152.8
[M-H]- 181.13462 146.6
[M+NH4]+ 200.17572 163.9
[M+K]+ 221.10506 152.8
[M+H-H2O]+ 165.13916 134.6
[M+HCOO]- 227.14010 163.3
[M+CH3COO]- 241.15575 199.3
[M+Na-2H]- 203.11657 149.1
[M]+ 182.14135 141.7
[M]- 182.14245 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.