CID 75485535

2172548-13-7

Structural Information

Molecular Formula

C₆H₁₀N₄O

SMILES

C1C(CN1)N2C=C(N=N2)CO

InChI

InChI=1S/C6H10N4O/c11-4-5-3-10(9-8-5)6-1-7-2-6/h3,6-7,11H,1-2,4H2

InChIKey

VUPXRFREZQRQCV-UHFFFAOYSA-N

Compound name

[1-(azetidin-3-yl)triazol-4-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 154.08546 Da
Monoisotopic Mass: -1.8
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]+	155.09274	130.3
[M+Na]+	177.07468	136.3
[M+NH4]+	172.11928	132.6
[M+K]+	193.04862	135.9
[M-H]-	153.07818	126.7
[M+Na-2H]-	175.06013	132.8
[M]+	154.08491	128.5
[M]-	154.08601	128.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.