CID 90567

69462-43-7

Structural Information

Molecular Formula

C₁₃H₂₁NO

SMILES

CC1CCCCN1C(=O)C2CCC=CC2

InChI

InChI=1S/C13H21NO/c1-11-7-5-6-10-14(11)13(15)12-8-3-2-4-9-12/h2-3,11-12H,4-10H2,1H3

InChIKey

KRHYGGFLEBNTHQ-UHFFFAOYSA-N

Compound name

cyclohex-3-en-1-yl-(2-methylpiperidin-1-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 22
References: 85
Patents: 207.16231 Da
Monoisotopic Mass: 2.5
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]+	208.16959	150.3
[M+Na]+	230.15153	153.1
[M-H]-	206.15503	153.9
[M+NH4]+	225.19613	167.2
[M+K]+	246.12547	150.9
[M+H-H2O]+	190.15957	142.4
[M+HCOO]-	252.16051	165.8
[M+CH3COO]-	266.17616	185.9
[M+Na-2H]-	228.13698	151.9
[M]+	207.16176	142.7
[M]-	207.16286	142.7

Literature stripe

literature stripe

Patent stripe

patents stripe