CID 89671

Nonadecylcyclohexane

Structural Information

Molecular Formula

C₂₅H₅₀

SMILES

CCCCCCCCCCCCCCCCCCCC1CCCCC1

InChI

InChI=1S/C25H50/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-25-23-20-18-21-24-25/h25H,2-24H2,1H3

InChIKey

YVTPTBVYGTYTKP-UHFFFAOYSA-N

Compound name

nonadecylcyclohexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 59
Patents: 350.39127 Da
Monoisotopic Mass: 13.3
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]+	351.39855	201.4
[M+Na]+	373.38049	198.8
[M-H]-	349.38399	200.5
[M+NH4]+	368.42509	214.2
[M+K]+	389.35443	193.5
[M+H-H2O]+	333.38853	192.7
[M+HCOO]-	395.38947	216.1
[M+CH3COO]-	409.40512	220.7
[M+Na-2H]-	371.36594	197.8
[M]+	350.39072	202.8
[M]-	350.39182	202.8

Literature stripe

literature stripe

Patent stripe

patents stripe