CID 129981657

(3-(dimethylamino)azetidin-3-yl)methanol dihydrochloride

Structural Information

Molecular Formula
C6H14N2O
SMILES
CN(C)C1(CNC1)CO
InChI
InChI=1S/C6H14N2O/c1-8(2)6(5-9)3-7-4-6/h7,9H,3-5H2,1-2H3
InChIKey
XLRYBBBQQCEYDC-UHFFFAOYSA-N
Compound name
[3-(dimethylamino)azetidin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

130.11061 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.11789 131.4
[M+Na]+ 153.09983 136.1
[M-H]- 129.10333 132.3
[M+NH4]+ 148.14443 146.4
[M+K]+ 169.07377 138.9
[M+H-H2O]+ 113.10787 121.3
[M+HCOO]- 175.10881 150.8
[M+CH3COO]- 189.12446 175.9
[M+Na-2H]- 151.08528 137.4
[M]+ 130.11006 137.3
[M]- 130.11116 137.3
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.