CID 94355

2-amino-2,3-dimethylbutanenitrile

Structural Information

Molecular Formula
C6H12N2
SMILES
CC(C)C(C)(C#N)N
InChI
InChI=1S/C6H12N2/c1-5(2)6(3,8)4-7/h5H,8H2,1-3H3
InChIKey
CAOHBROWLMCZRP-UHFFFAOYSA-N
Compound name
2-amino-2,3-dimethylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

356
Patents

112.10005 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.10733 126.4
[M+Na]+ 135.08927 135.2
[M+NH4]+ 130.13387 130.9
[M+K]+ 151.06321 128.2
[M-H]- 111.09277 119.1
[M+Na-2H]- 133.07472 127.9
[M]+ 112.09950 124.6
[M]- 112.10060 124.6
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