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: 4
Patents: 153.09021 Da
Monoisotopic Mass: -0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	154.097486	132.8
[M+Na]+	176.079428	138.8
[M-H]-	152.082934	131.5
[M+NH4]+	171.124033	144.8
[M+K]+	192.053368	138.2
[M+H-H2O]+	136.087470	121.1
[M+HCOO]-	198.088411	148.8
[M+CH3COO]-	212.104061	169.5
[M+Na-2H]-	174.064876	138.4
[M]+	153.08966142	136.2
[M]-	153.09075858	136.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe