CID 122404

Cycloundecanemethanol

Structural Information

Molecular Formula

C₁₂H₂₄O

SMILES

C1CCCCCC(CCCC1)CO

InChI

InChI=1S/C12H24O/c13-11-12-9-7-5-3-1-2-4-6-8-10-12/h12-13H,1-11H2

InChIKey

XSFJMMWTLXMXTK-UHFFFAOYSA-N

Compound name

cycloundecylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 184.18271 Da
Monoisotopic Mass: 4.6
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]+	185.189986	144.6
[M+Na]+	207.171928	146.2
[M-H]-	183.175434	142.8
[M+NH4]+	202.216533	160.6
[M+K]+	223.145868	145.3
[M+H-H2O]+	167.179970	141.9
[M+HCOO]-	229.180911	160.2
[M+CH3COO]-	243.196561	174.2
[M+Na-2H]-	205.157376	146.3
[M]+	184.18216142	133.7
[M]-	184.18325858	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe