CID 6431456

.delta.-cadinol #1

Structural Information

Molecular Formula
C15H26O
SMILES
CC1=CC[C@@H](C2C1CCC(C2)(C)O)C(C)C
InChI
InChI=1S/C15H26O/c1-10(2)12-6-5-11(3)13-7-8-15(4,16)9-14(12)13/h5,10,12-14,16H,6-9H2,1-4H3/t12-,13?,14?,15?/m1/s1
InChIKey
ISOIDIYKQYJGMC-AUXXQLBISA-N
Compound name
(8R)-2,5-dimethyl-8-propan-2-yl-3,4,4a,7,8,8a-hexahydro-1H-naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.19836 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 154.6
[M+Na]+ 245.18758 165.6
[M+NH4]+ 240.23218 165.5
[M+K]+ 261.16152 156.9
[M-H]- 221.19108 157.3
[M+Na-2H]- 243.17303 159.3
[M]+ 222.19781 157.1
[M]- 222.19891 157.1
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.