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]+ 127.12298 131.5
[M+Na]+ 149.10492 139.4
[M-H]- 125.10842 132.0
[M+NH4]+ 144.14952 151.2
[M+K]+ 165.07886 139.4
[M+H-H2O]+ 109.11296 120.7
[M+HCOO]- 171.11390 149.5
[M+CH3COO]- 185.12955 189.5
[M+Na-2H]- 147.09037 136.2
[M]+ 126.11515 125.3
[M]- 126.11625 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.