CID 208438

2-cyclohexen-1-ol, 5-methylene-6-(1-methylethenyl)-, acetate, (1s-cis)-

Structural Information

Molecular Formula
C12H16O2
SMILES
CC(=C)[C@H]1[C@H](C=CCC1=C)OC(=O)C
InChI
InChI=1S/C12H16O2/c1-8(2)12-9(3)6-5-7-11(12)14-10(4)13/h5,7,11-12H,1,3,6H2,2,4H3/t11-,12+/m0/s1
InChIKey
LCKQEGQKVDFBIO-NWDGAFQWSA-N
Compound name
[(1S,6R)-5-methylidene-6-prop-1-en-2-ylcyclohex-2-en-1-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.11504 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.122316 141.7
[M+Na]+ 215.104258 148.1
[M-H]- 191.107764 145.1
[M+NH4]+ 210.148863 161.5
[M+K]+ 231.078198 146.2
[M+H-H2O]+ 175.112300 136.5
[M+HCOO]- 237.113241 161.5
[M+CH3COO]- 251.128891 185.9
[M+Na-2H]- 213.089706 142.7
[M]+ 192.11449142 140.1
[M]- 192.11558858 140.1
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

No patent data available for this compound.