CID 25079296

Dtxsid301005494

Structural Information

Molecular Formula

C₁₁H₂₁N

SMILES

CC1CCC(=CC1)C(C)CCN

InChI

InChI=1S/C11H21N/c1-9-3-5-11(6-4-9)10(2)7-8-12/h5,9-10H,3-4,6-8,12H2,1-2H3

InChIKey

WLVQHXFLUTXTMU-UHFFFAOYSA-N

Compound name

3-(4-methylcyclohexen-1-yl)butan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 167.1674 Da
Monoisotopic Mass: 2.3
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]+	168.174676	141.5
[M+Na]+	190.156618	145.8
[M-H]-	166.160124	143.8
[M+NH4]+	185.201223	161.6
[M+K]+	206.130558	144.0
[M+H-H2O]+	150.164660	135.6
[M+HCOO]-	212.165601	161.9
[M+CH3COO]-	226.181251	184.2
[M+Na-2H]-	188.142066	143.9
[M]+	167.16685142	137.2
[M]-	167.16794858	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.