CID 13352438

2-amino-4-methylpentanenitrile hydrochloride

Structural Information

Molecular Formula
C6H12N2
SMILES
CC(C)CC(C#N)N
InChI
InChI=1S/C6H12N2/c1-5(2)3-6(8)4-7/h5-6H,3,8H2,1-2H3
InChIKey
ROAHGHLLRAUFEQ-UHFFFAOYSA-N
Compound name
2-amino-4-methylpentanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

112.10005 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.107326 126.0
[M+Na]+ 135.089268 133.7
[M-H]- 111.092774 126.4
[M+NH4]+ 130.133873 146.0
[M+K]+ 151.063208 133.8
[M+H-H2O]+ 95.097310 114.8
[M+HCOO]- 157.098251 144.8
[M+CH3COO]- 171.113901 187.2
[M+Na-2H]- 133.074716 129.7
[M]+ 112.09950142 119.4
[M]- 112.10059858 119.4
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