CID 31905

23438-68-8

Structural Information

Molecular Formula
C12H20O2
SMILES
CC1CC2(CCCCC2(O1)O)CC=C
InChI
InChI=1S/C12H20O2/c1-3-6-11-7-4-5-8-12(11,13)14-10(2)9-11/h3,10,13H,1,4-9H2,2H3
InChIKey
SNQVWROKOBXPRI-UHFFFAOYSA-N
Compound name
2-methyl-3a-prop-2-enyl-2,3,4,5,6,7-hexahydro-1-benzofuran-7a-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.14633 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.15361 145.1
[M+Na]+ 219.13555 151.3
[M-H]- 195.13905 148.1
[M+NH4]+ 214.18015 169.2
[M+K]+ 235.10949 149.4
[M+H-H2O]+ 179.14359 141.3
[M+HCOO]- 241.14453 161.6
[M+CH3COO]- 255.16018 180.2
[M+Na-2H]- 217.12100 150.5
[M]+ 196.14578 141.7
[M]- 196.14688 141.7
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.