CID 61284

Alpha-campholenol

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

CC1=CCC(C1(C)C)CCO

InChI

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

InChIKey

NPGPPCSBEMHHCR-UHFFFAOYSA-N

Compound name

2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 0
References: 153
Patents: 154.13577 Da
Monoisotopic Mass: 2.1
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	133.9
[M+Na]+	177.124988	142.2
[M-H]-	153.128494	136.6
[M+NH4]+	172.169593	158.8
[M+K]+	193.098928	140.2
[M+H-H2O]+	137.133030	130.3
[M+HCOO]-	199.133971	156.2
[M+CH3COO]-	213.149621	176.0
[M+Na-2H]-	175.110436	137.9
[M]+	154.13522142	134.1
[M]-	154.13631858	134.1

Literature stripe

literature stripe

Patent stripe

patents stripe