CID 91747493

.beta.-cadinol

Structural Information

Molecular Formula
C15H26O
SMILES
CC(C)[C@H]1CC[C@](C2C1CC(=C)CC2)(C)O
InChI
InChI=1S/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h10,12-14,16H,3,5-9H2,1-2,4H3/t12-,13?,14?,15+/m1/s1
InChIKey
DCGIIRVFKWJQME-URGYJCLVSA-N
Compound name
(1S,4R)-1-methyl-6-methylidene-4-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydronaphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.19836 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 154.7
[M+Na]+ 245.18758 159.2
[M-H]- 221.19108 156.7
[M+NH4]+ 240.23218 175.7
[M+K]+ 261.16152 155.8
[M+H-H2O]+ 205.19562 149.9
[M+HCOO]- 267.19656 167.6
[M+CH3COO]- 281.21221 191.2
[M+Na-2H]- 243.17303 155.2
[M]+ 222.19781 147.9
[M]- 222.19891 147.9
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.