CID 519954

Cis-isopulegone

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

CC(=C)C1CCC(CC1)CO

InChI

InChI=1S/C10H18O/c1-8(2)10-5-3-9(7-11)4-6-10/h9-11H,1,3-7H2,2H3

InChIKey

GMYHXOPIKMGWOM-UHFFFAOYSA-N

Compound name

(4-prop-1-en-2-ylcyclohexyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 189
References: 172
Patents: 154.13577 Da
Monoisotopic Mass: 2.9
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]+	155.14305	136.5
[M+Na]+	177.12499	140.9
[M-H]-	153.12849	137.8
[M+NH4]+	172.16959	156.8
[M+K]+	193.09893	138.9
[M+H-H2O]+	137.13303	131.4
[M+HCOO]-	199.13397	154.2
[M+CH3COO]-	213.14962	175.9
[M+Na-2H]-	175.11044	138.7
[M]+	154.13522	131.0
[M]-	154.13632	131.0

Literature stripe

literature stripe

Patent stripe

patents stripe