CID 131753002

(7b,10a)-3-hydroxy-1,3,5-cadinatrien-9-one

Structural Information

Molecular Formula
C15H20O2
SMILES
CC1C(=O)CC(C2=C1C=C(C(=C2)C)O)C(C)C
InChI
InChI=1S/C15H20O2/c1-8(2)11-6-15(17)10(4)12-7-14(16)9(3)5-13(11)12/h5,7-8,10-11,16H,6H2,1-4H3
InChIKey
QPXQUILITXIQFA-UHFFFAOYSA-N
Compound name
7-hydroxy-1,6-dimethyl-4-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.14633 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.15361 153.0
[M+Na]+ 255.13555 166.1
[M+NH4]+ 250.18015 161.7
[M+K]+ 271.10949 159.5
[M-H]- 231.13905 155.4
[M+Na-2H]- 253.12100 157.0
[M]+ 232.14578 155.6
[M]- 232.14688 155.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.