CID 57364996

(3s)-4-amino-3-hydroxybutanenitrile hydrochloride

Structural Information

Molecular Formula
C4H8N2O
SMILES
C(C#N)[C@@H](CN)O
InChI
InChI=1S/C4H8N2O/c5-2-1-4(7)3-6/h4,7H,1,3,6H2/t4-/m0/s1
InChIKey
AFSJSMGLWQBMPX-BYPYZUCNSA-N
Compound name
(3S)-4-amino-3-hydroxybutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

100.06366 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.07094 121.3
[M+Na]+ 123.05288 129.7
[M+NH4]+ 118.09748 125.4
[M+K]+ 139.02682 122.8
[M-H]- 99.056384 113.6
[M+Na-2H]- 121.03833 122.3
[M]+ 100.06311 119.1
[M]- 100.06421 119.1
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

No patent data available for this compound.