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

4
Patents

100.06366 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.070936 120.1
[M+Na]+ 123.052878 128.3
[M-H]- 99.056384 119.5
[M+NH4]+ 118.097483 139.9
[M+K]+ 139.026818 128.3
[M+H-H2O]+ 83.060920 109.2
[M+HCOO]- 145.061861 139.3
[M+CH3COO]- 159.077511 180.4
[M+Na-2H]- 121.038326 125.4
[M]+ 100.06311142 113.0
[M]- 100.06420858 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