CID 251559

7149-51-1

Structural Information

Molecular Formula

C₁₃H₂₀N₂O

SMILES

C1CCC(=NC2=C(CCCC2)C(=O)N)CC1

InChI

InChI=1S/C13H20N2O/c14-13(16)11-8-4-5-9-12(11)15-10-6-2-1-3-7-10/h1-9H2,(H2,14,16)

InChIKey

RKLVRQQRPQCYJR-UHFFFAOYSA-N

Compound name

2-(cyclohexylideneamino)cyclohexene-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 8
References: 1
Patents: 220.15756 Da
Monoisotopic Mass: 1.4
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]+	221.164836	151.6
[M+Na]+	243.146778	153.4
[M-H]-	219.150284	157.4
[M+NH4]+	238.191383	168.9
[M+K]+	259.120718	151.1
[M+H-H2O]+	203.154820	143.8
[M+HCOO]-	265.155761	171.5
[M+CH3COO]-	279.171411	194.2
[M+Na-2H]-	241.132226	153.3
[M]+	220.15701142	142.2
[M]-	220.15810858	142.2

Literature stripe

literature stripe

Patent stripe

patents stripe