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
2
Annotation Hits

0
References

25
Patents

180.11504 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.12232 138.8
[M+Na]+ 203.10426 145.5
[M-H]- 179.10776 142.2
[M+NH4]+ 198.14886 159.1
[M+K]+ 219.07820 143.9
[M+H-H2O]+ 163.11230 133.5
[M+HCOO]- 225.11324 159.7
[M+CH3COO]- 239.12889 183.5
[M+Na-2H]- 201.08971 141.5
[M]+ 180.11449 138.2
[M]- 180.11559 138.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe