CID 3056077

73416-74-7

Structural Information

Molecular Formula

C₁₅H₂₂N₂

SMILES

CC1=CC=C(C=C1)C(=NC)NC2CCCCC2

InChI

InChI=1S/C15H22N2/c1-12-8-10-13(11-9-12)15(16-2)17-14-6-4-3-5-7-14/h8-11,14H,3-7H2,1-2H3,(H,16,17)

InChIKey

QQBBXOYKPYYQDA-UHFFFAOYSA-N

Compound name

N-cyclohexyl-N',4-dimethylbenzenecarboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 230.1783 Da
Monoisotopic Mass: 3.6
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]+	231.185576	155.3
[M+Na]+	253.167518	158.2
[M-H]-	229.171024	162.1
[M+NH4]+	248.212123	173.0
[M+K]+	269.141458	155.4
[M+H-H2O]+	213.175560	147.3
[M+HCOO]-	275.176501	177.8
[M+CH3COO]-	289.192151	198.2
[M+Na-2H]-	251.152966	159.1
[M]+	230.17775142	149.8
[M]-	230.17884858	149.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.