CID 145913228

2378502-72-6

Structural Information

Molecular Formula

SMILES

C1C(CC1=O)N2C=NC=N2

InChI

InChI=1S/C6H7N3O/c10-6-1-5(2-6)9-4-7-3-8-9/h3-5H,1-2H2

InChIKey

ZYMLDQRASJLCFH-UHFFFAOYSA-N

Compound name

3-(1,2,4-triazol-1-yl)cyclobutan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 137.05891 Da
Monoisotopic Mass: -0.6
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]+	138.06619	123.9
[M+Na]+	160.04813	131.3
[M+NH4]+	155.09273	127.6
[M+K]+	176.02207	130.0
[M-H]-	136.05163	121.9
[M+Na-2H]-	158.03358	128.1
[M]+	137.05836	122.9
[M]-	137.05946	122.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.