CID 109458

Isocyclogeraniol

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

CC1CC(=CC(C1CO)C)C

InChI

InChI=1S/C10H18O/c1-7-4-8(2)10(6-11)9(3)5-7/h4,8-11H,5-6H2,1-3H3

InChIKey

DMXUBGVVJLVCPB-UHFFFAOYSA-N

Compound name

(2,4,6-trimethylcyclohex-3-en-1-yl)methanol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 1005
Patents: 154.13577 Da
Monoisotopic Mass: 2.0
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	134.1
[M+Na]+	177.124988	141.4
[M-H]-	153.128494	136.6
[M+NH4]+	172.169593	155.4
[M+K]+	193.098928	139.5
[M+H-H2O]+	137.133030	129.5
[M+HCOO]-	199.133971	154.2
[M+CH3COO]-	213.149621	177.9
[M+Na-2H]-	175.110436	137.4
[M]+	154.13522142	132.2
[M]-	154.13631858	132.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe