CID 14405752

2-amino-3-hydroxy-2-methylpropanenitrile hydrochloride

Structural Information

Molecular Formula
C4H8N2O
SMILES
CC(CO)(C#N)N
InChI
InChI=1S/C4H8N2O/c1-4(6,2-5)3-7/h7H,3,6H2,1H3
InChIKey
FSRLLJVJCVKHQI-UHFFFAOYSA-N
Compound name
2-amino-3-hydroxy-2-methylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

122
Patents

100.06366 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.070936 122.1
[M+Na]+ 123.052878 130.9
[M-H]- 99.056384 121.7
[M+NH4]+ 118.097483 142.1
[M+K]+ 139.026818 130.9
[M+H-H2O]+ 83.060920 111.8
[M+HCOO]- 145.061861 140.8
[M+CH3COO]- 159.077511 179.9
[M+Na-2H]- 121.038326 128.9
[M]+ 100.06311142 115.1
[M]- 100.06420858 115.1
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