CID 91457

Beta-eudesmol

Structural Information

Molecular Formula
C15H26O
SMILES
C[C@]12CCCC(=C)[C@@H]1C[C@@H](CC2)C(C)(C)O
InChI
InChI=1S/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h12-13,16H,1,5-10H2,2-4H3/t12-,13+,15-/m1/s1
InChIKey
BOPIMTNSYWYZOC-VNHYZAJKSA-N
Compound name
2-[(2R,4aR,8aS)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

110
References

1477
Patents

222.19836 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 155.2
[M+Na]+ 245.18758 159.4
[M-H]- 221.19108 157.0
[M+NH4]+ 240.23218 176.0
[M+K]+ 261.16152 156.0
[M+H-H2O]+ 205.19562 150.7
[M+HCOO]- 267.19656 167.6
[M+CH3COO]- 281.21221 189.5
[M+Na-2H]- 243.17303 158.5
[M]+ 222.19781 148.2
[M]- 222.19891 148.2
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.