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

33
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 127.5
[M+Na]+ 135.089268 135.7
[M-H]- 111.092774 128.2
[M+NH4]+ 130.133873 147.7
[M+K]+ 151.063208 136.0
[M+H-H2O]+ 95.097310 116.9
[M+HCOO]- 157.098251 145.8
[M+CH3COO]- 171.113901 186.7
[M+Na-2H]- 133.074716 132.6
[M]+ 112.09950142 121.0
[M]- 112.10059858 121.0
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