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

1814
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

literature stripe

Patent stripe

patents stripe