CID 6449789

41370-29-0

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

CC1(CCC/C(=C\CO)/C1)C

InChI

InChI=1S/C10H18O/c1-10(2)6-3-4-9(8-10)5-7-11/h5,11H,3-4,6-8H2,1-2H3/b9-5+

InChIKey

SHYLMMBHTKLAJS-WEVVVXLNSA-N

Compound name

(2E)-2-(3,3-dimethylcyclohexylidene)ethanol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 968
Patents: 154.13577 Da
Monoisotopic Mass: 2.2
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]+	155.143046	135.8
[M+Na]+	177.124988	141.5
[M-H]-	153.128494	137.6
[M+NH4]+	172.169593	158.4
[M+K]+	193.098928	139.3
[M+H-H2O]+	137.133030	131.6
[M+HCOO]-	199.133971	154.6
[M+CH3COO]-	213.149621	173.9
[M+Na-2H]-	175.110436	140.5
[M]+	154.13522142	131.2
[M]-	154.13631858	131.2

Literature stripe

literature stripe

Patent stripe

patents stripe