CID 65247280

4-amino-2,2-dimethylbutanenitrile

Structural Information

Molecular Formula
C6H12N2
SMILES
CC(C)(CCN)C#N
InChI
InChI=1S/C6H12N2/c1-6(2,5-8)3-4-7/h3-4,7H2,1-2H3
InChIKey
BFHBQKCGBXOWLF-UHFFFAOYSA-N
Compound name
4-amino-2,2-dimethylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

112.10005 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.107326 126.3
[M+Na]+ 135.089268 134.8
[M-H]- 111.092774 127.0
[M+NH4]+ 130.133873 146.6
[M+K]+ 151.063208 134.6
[M+H-H2O]+ 95.097310 115.7
[M+HCOO]- 157.098251 145.6
[M+CH3COO]- 171.113901 186.0
[M+Na-2H]- 133.074716 132.7
[M]+ 112.09950142 120.4
[M]- 112.10059858 120.4
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

patents stripe