CID 14656672

2-amino-3-hydroxypropanenitrile hydrochloride

Structural Information

Molecular Formula
C3H6N2O
SMILES
C(C(C#N)N)O
InChI
InChI=1S/C3H6N2O/c4-1-3(5)2-6/h3,6H,2,5H2
InChIKey
BOYRGCUYTXBPQH-UHFFFAOYSA-N
Compound name
2-amino-3-hydroxypropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

53
Patents

86.04801 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 87.055286 116.2
[M+Na]+ 109.03723 124.8
[M-H]- 85.040734 115.7
[M+NH4]+ 104.08183 136.5
[M+K]+ 125.01117 124.9
[M+H-H2O]+ 69.045270 105.5
[M+HCOO]- 131.04621 135.6
[M+CH3COO]- 145.06186 177.7
[M+Na-2H]- 107.02268 121.9
[M]+ 86.047461 108.7
[M]- 86.048559 108.7
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.