CID 138040100

3-[(1h-pyrazol-5-yl)methyl]azetidin-3-ol dihydrochloride

Structural Information

Molecular Formula
C7H11N3O
SMILES
C1C(CN1)(CC2=CC=NN2)O
InChI
InChI=1S/C7H11N3O/c11-7(4-8-5-7)3-6-1-2-9-10-6/h1-2,8,11H,3-5H2,(H,9,10)
InChIKey
XJPLEIAWEVAOKG-UHFFFAOYSA-N
Compound name
3-(1H-pyrazol-5-ylmethyl)azetidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.09021 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.09749 132.8
[M+Na]+ 176.07943 138.8
[M-H]- 152.08293 131.5
[M+NH4]+ 171.12403 144.8
[M+K]+ 192.05337 138.2
[M+H-H2O]+ 136.08747 121.1
[M+HCOO]- 198.08841 148.8
[M+CH3COO]- 212.10406 169.5
[M+Na-2H]- 174.06488 138.4
[M]+ 153.08966 136.2
[M]- 153.09076 136.2
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.