CID 524419

(1-butylheptyl)cyclohexane

Structural Information

Molecular Formula

C₁₇H₃₄

SMILES

CCCCCCC(CCCC)C1CCCCC1

InChI

InChI=1S/C17H34/c1-3-5-7-9-13-16(12-6-4-2)17-14-10-8-11-15-17/h16-17H,3-15H2,1-2H3

InChIKey

BYZLRRVDPKPOEP-UHFFFAOYSA-N

Compound name

undecan-5-ylcyclohexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 238.26605 Da
Monoisotopic Mass: 8.6
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]+	239.273326	166.8
[M+Na]+	261.255268	167.4
[M-H]-	237.258774	167.7
[M+NH4]+	256.299873	184.2
[M+K]+	277.229208	164.6
[M+H-H2O]+	221.263310	159.8
[M+HCOO]-	283.264251	183.2
[M+CH3COO]-	297.279901	197.6
[M+Na-2H]-	259.240716	166.3
[M]+	238.26550142	164.6
[M]-	238.26659858	164.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe