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]+ 155.092736 132.1
[M+Na]+ 177.074678 139.8
[M-H]- 153.078184 131.3
[M+NH4]+ 172.119283 143.7
[M+K]+ 193.048618 140.3
[M+H-H2O]+ 137.082720 119.9
[M+HCOO]- 199.083661 148.6
[M+CH3COO]- 213.099311 173.1
[M+Na-2H]- 175.060126 137.8
[M]+ 154.08491142 137.8
[M]- 154.08600858 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.