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]+ 113.10733 126.3
[M+Na]+ 135.08927 134.8
[M-H]- 111.09277 127.0
[M+NH4]+ 130.13387 146.6
[M+K]+ 151.06321 134.6
[M+H-H2O]+ 95.097310 115.7
[M+HCOO]- 157.09825 145.6
[M+CH3COO]- 171.11390 186.0
[M+Na-2H]- 133.07472 132.7
[M]+ 112.09950 120.4
[M]- 112.10060 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