CID 114685123

3-(1-methyl-1h-1,2,3-triazol-5-yl)azetidin-3-ol dihydrochloride

Structural Information

Molecular Formula
C6H10N4O
SMILES
CN1C(=CN=N1)C2(CNC2)O
InChI
InChI=1S/C6H10N4O/c1-10-5(2-8-9-10)6(11)3-7-4-6/h2,7,11H,3-4H2,1H3
InChIKey
QVRFAFXKKBMGEN-UHFFFAOYSA-N
Compound name
3-(3-methyltriazol-4-yl)azetidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.08546 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.09274 132.1
[M+Na]+ 177.07468 139.8
[M-H]- 153.07818 131.3
[M+NH4]+ 172.11928 143.7
[M+K]+ 193.04862 140.3
[M+H-H2O]+ 137.08272 119.9
[M+HCOO]- 199.08366 148.6
[M+CH3COO]- 213.09931 173.1
[M+Na-2H]- 175.06013 137.8
[M]+ 154.08491 137.8
[M]- 154.08601 137.8
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.