CID 60810840

1184507-29-6

Structural Information

Molecular Formula

C₁₁H₁₈N₄

SMILES

C1CC2=NN=C(N2C1)C3CCC(CC3)N

InChI

InChI=1S/C11H18N4/c12-9-5-3-8(4-6-9)11-14-13-10-2-1-7-15(10)11/h8-9H,1-7,12H2

InChIKey

PQESWMRMEFARLK-UHFFFAOYSA-N

Compound name

4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)cyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 206.15315 Da
Monoisotopic Mass: 0.2
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]+	207.160426	147.3
[M+Na]+	229.142368	153.4
[M-H]-	205.145874	150.0
[M+NH4]+	224.186973	166.1
[M+K]+	245.116308	150.2
[M+H-H2O]+	189.150410	138.4
[M+HCOO]-	251.151351	164.9
[M+CH3COO]-	265.167001	158.4
[M+Na-2H]-	227.127816	148.3
[M]+	206.15260142	140.8
[M]-	206.15369858	140.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.