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

literature stripe

Patent stripe

patents stripe