CID 3034275

125331-94-4

Structural Information

Molecular Formula
C15H22O
SMILES
CC(C(=CC1CC2CC1C3C2CC=C3)C)O
InChI
InChI=1S/C15H22O/c1-9(10(2)16)6-11-7-12-8-15(11)14-5-3-4-13(12)14/h3,5-6,10-16H,4,7-8H2,1-2H3
InChIKey
IJTGAABNKKQILC-UHFFFAOYSA-N
Compound name
3-methyl-4-(8-tricyclo[5.2.1.02,6]dec-4-enyl)but-3-en-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

12
Patents

218.16707 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.17435 160.4
[M+Na]+ 241.15629 166.0
[M-H]- 217.15979 162.7
[M+NH4]+ 236.20089 186.0
[M+K]+ 257.13023 162.2
[M+H-H2O]+ 201.16433 157.0
[M+HCOO]- 263.16527 176.9
[M+CH3COO]- 277.18092 189.7
[M+Na-2H]- 239.14174 157.3
[M]+ 218.16652 158.1
[M]- 218.16762 158.1
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.