CID 60925660

2-amino-2-ethyl-3-methylbutanenitrile

Structural Information

Molecular Formula
C7H14N2
SMILES
CCC(C#N)(C(C)C)N
InChI
InChI=1S/C7H14N2/c1-4-7(9,5-8)6(2)3/h6H,4,9H2,1-3H3
InChIKey
JOAWGWIRTJDOPT-UHFFFAOYSA-N
Compound name
2-amino-2-ethyl-3-methylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

126.1157 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.122976 131.5
[M+Na]+ 149.104918 139.4
[M-H]- 125.108424 132.0
[M+NH4]+ 144.149523 151.2
[M+K]+ 165.078858 139.4
[M+H-H2O]+ 109.112960 120.7
[M+HCOO]- 171.113901 149.5
[M+CH3COO]- 185.129551 189.5
[M+Na-2H]- 147.090366 136.2
[M]+ 126.11515142 125.3
[M]- 126.11624858 125.3
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.