CID 57438048

(3s)-3-amino-2,2-dimethylbutanenitrile hydrochloride

Structural Information

Molecular Formula
C6H12N2
SMILES
C[C@@H](C(C)(C)C#N)N
InChI
InChI=1S/C6H12N2/c1-5(8)6(2,3)4-7/h5H,8H2,1-3H3/t5-/m0/s1
InChIKey
UQSFIQSMBXEWAP-YFKPBYRVSA-N
Compound name
(3S)-3-amino-2,2-dimethylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
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 126.4
[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

No literature data available for this compound.

Patent stripe

patents stripe