CID 21027193

2-[(azetidin-3-yl)(methyl)amino]ethan-1-ol dihydrochloride

Structural Information

Molecular Formula
C6H14N2O
SMILES
CN(CCO)C1CNC1
InChI
InChI=1S/C6H14N2O/c1-8(2-3-9)6-4-7-5-6/h6-7,9H,2-5H2,1H3
InChIKey
KVGSBNWWWIMPMT-UHFFFAOYSA-N
Compound name
2-[azetidin-3-yl(methyl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

130.11061 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.117886 130.1
[M+Na]+ 153.099828 133.9
[M-H]- 129.103334 130.5
[M+NH4]+ 148.144433 143.1
[M+K]+ 169.073768 136.6
[M+H-H2O]+ 113.107870 118.6
[M+HCOO]- 175.108811 149.5
[M+CH3COO]- 189.124461 176.3
[M+Na-2H]- 151.085276 135.1
[M]+ 130.11006142 135.6
[M]- 130.11115858 135.6
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