CID 121797

2-cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, formate

Structural Information

Molecular Formula

C₁₁H₁₆O₂

SMILES

CC1=CCC(CC1OC=O)C(=C)C

InChI

InChI=1S/C11H16O2/c1-8(2)10-5-4-9(3)11(6-10)13-7-12/h4,7,10-11H,1,5-6H2,2-3H3

InChIKey

BPBPWBGJZQBEKD-UHFFFAOYSA-N

Compound name

(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) formate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 19
Patents: 180.11504 Da
Monoisotopic Mass: 2.6
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]+	181.122316	138.8
[M+Na]+	203.104258	145.5
[M-H]-	179.107764	142.2
[M+NH4]+	198.148863	159.1
[M+K]+	219.078198	143.9
[M+H-H2O]+	163.112300	133.5
[M+HCOO]-	225.113241	159.7
[M+CH3COO]-	239.128891	183.5
[M+Na-2H]-	201.089706	141.5
[M]+	180.11449142	138.2
[M]-	180.11558858	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe