CID 75250012

Calamensesquiterpinenol

Structural Information

Molecular Formula
C15H24O2
SMILES
CC1CCC2C13CC(CC3O)(C(=O)C2(C)C)C
InChI
InChI=1S/C15H24O2/c1-9-5-6-10-13(2,3)12(17)14(4)7-11(16)15(9,10)8-14/h9-11,16H,5-8H2,1-4H3
InChIKey
DDUWSZBURGHFEW-UHFFFAOYSA-N
Compound name
10-hydroxy-2,6,6,8-tetramethyltricyclo[6.2.1.01,5]undecan-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.17763 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.184906 154.9
[M+Na]+ 259.166848 163.9
[M-H]- 235.170354 158.3
[M+NH4]+ 254.211453 184.3
[M+K]+ 275.140788 159.3
[M+H-H2O]+ 219.174890 152.5
[M+HCOO]- 281.175831 170.2
[M+CH3COO]- 295.191481 192.1
[M+Na-2H]- 257.152296 157.3
[M]+ 236.17708142 153.6
[M]- 236.17817858 153.6
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.