CID 21896830

2-amino-3-(dimethylamino)propan-1-ol dihydrochloride

Structural Information

Molecular Formula
C5H14N2O
SMILES
CN(C)CC(CO)N
InChI
InChI=1S/C5H14N2O/c1-7(2)3-5(6)4-8/h5,8H,3-4,6H2,1-2H3
InChIKey
STUCHZYFEVRKGI-UHFFFAOYSA-N
Compound name
2-amino-3-(dimethylamino)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

118.11061 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.117886 127.1
[M+Na]+ 141.099828 132.5
[M-H]- 117.103334 127.0
[M+NH4]+ 136.144433 148.7
[M+K]+ 157.073768 133.5
[M+H-H2O]+ 101.107870 121.8
[M+HCOO]- 163.108811 150.8
[M+CH3COO]- 177.124461 176.9
[M+Na-2H]- 139.085276 131.3
[M]+ 118.11006142 125.4
[M]- 118.11115858 125.4
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