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]+ 233.153606 151.9
[M+Na]+ 255.135548 160.3
[M-H]- 231.139054 155.5
[M+NH4]+ 250.180153 171.3
[M+K]+ 271.109488 156.9
[M+H-H2O]+ 215.143590 146.7
[M+HCOO]- 277.144531 169.5
[M+CH3COO]- 291.160181 195.0
[M+Na-2H]- 253.120996 153.2
[M]+ 232.14578142 151.6
[M]- 232.14687858 151.6
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.