CID 92251

2-amino-2,4-dimethylpentanenitrile

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

0
References

25
Patents

126.1157 Da
Monoisotopic Mass

1.0
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

literature stripe

Patent stripe

patents stripe