CID 137965738

2230803-24-2

Structural Information

Molecular Formula

C₇H₁₂N₄

SMILES

C1C(CC1N)CN2C=CN=N2

InChI

InChI=1S/C7H12N4/c8-7-3-6(4-7)5-11-2-1-9-10-11/h1-2,6-7H,3-5,8H2

InChIKey

OEURBUBEWIXBKU-UHFFFAOYSA-N

Compound name

3-(triazol-1-ylmethyl)cyclobutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 152.1062 Da
Monoisotopic Mass: -0.5
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]+	153.11348	130.7
[M+Na]+	175.09542	136.8
[M+NH4]+	170.14002	134.4
[M+K]+	191.06936	135.4
[M-H]-	151.09892	129.5
[M+Na-2H]-	173.08087	134.4
[M]+	152.10565	129.7
[M]-	152.10675	129.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.