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

2
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 120.1
[M+Na]+ 123.05288 128.3
[M-H]- 99.056384 119.5
[M+NH4]+ 118.09748 139.9
[M+K]+ 139.02682 128.3
[M+H-H2O]+ 83.060920 109.2
[M+HCOO]- 145.06186 139.3
[M+CH3COO]- 159.07751 180.4
[M+Na-2H]- 121.03833 125.4
[M]+ 100.06311 113.0
[M]- 100.06421 113.0
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