CID 114419

P-menth-8-en-3-ol, formate

Structural Information

Molecular Formula

C₁₁H₁₈O₂

SMILES

CC1CCC(C(C1)OC=O)C(=C)C

InChI

InChI=1S/C11H18O2/c1-8(2)10-5-4-9(3)6-11(10)13-7-12/h7,9-11H,1,4-6H2,2-3H3

InChIKey

PPCFFEDGKDEJFV-UHFFFAOYSA-N

Compound name

(5-methyl-2-prop-1-en-2-ylcyclohexyl) formate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 62
Patents: 182.13068 Da
Monoisotopic Mass: 3.5
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]+	183.13796	140.8
[M+Na]+	205.11990	146.4
[M-H]-	181.12340	143.8
[M+NH4]+	200.16450	160.9
[M+K]+	221.09384	145.1
[M+H-H2O]+	165.12794	135.5
[M+HCOO]-	227.12888	160.2
[M+CH3COO]-	241.14453	183.9
[M+Na-2H]-	203.10535	142.5
[M]+	182.13013	138.8
[M]-	182.13123	138.8

Literature stripe

literature stripe

Patent stripe

patents stripe