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

31
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 127.5
[M+Na]+ 135.08927 135.7
[M-H]- 111.09277 128.2
[M+NH4]+ 130.13387 147.7
[M+K]+ 151.06321 136.0
[M+H-H2O]+ 95.097310 116.9
[M+HCOO]- 157.09825 145.8
[M+CH3COO]- 171.11390 186.7
[M+Na-2H]- 133.07472 132.6
[M]+ 112.09950 121.0
[M]- 112.10060 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