CID 114503

Octahydro-5-vinyl-4,7-methano-1h-inden-5-ol

Structural Information

Molecular Formula
C12H18O
SMILES
C=CC1(CC2CC1C3C2CCC3)O
InChI
InChI=1S/C12H18O/c1-2-12(13)7-8-6-11(12)10-5-3-4-9(8)10/h2,8-11,13H,1,3-7H2
InChIKey
KDPQOUYYMLJCMF-UHFFFAOYSA-N
Compound name
8-ethenyltricyclo[5.2.1.02,6]decan-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

178.13577 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.14305 146.0
[M+Na]+ 201.12499 153.6
[M-H]- 177.12849 148.5
[M+NH4]+ 196.16959 175.3
[M+K]+ 217.09893 149.3
[M+H-H2O]+ 161.13303 143.3
[M+HCOO]- 223.13397 164.2
[M+CH3COO]- 237.14962 158.8
[M+Na-2H]- 199.11044 147.1
[M]+ 178.13522 142.9
[M]- 178.13632 142.9
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