CID 6857681

Beta-santalol

Structural Information

Molecular Formula
C15H24O
SMILES
C/C(=C/CC[C@@]1([C@H]2CC[C@H](C2)C1=C)C)/CO
InChI
InChI=1S/C15H24O/c1-11(10-16)5-4-8-15(3)12(2)13-6-7-14(15)9-13/h5,13-14,16H,2,4,6-10H2,1,3H3/b11-5-/t13-,14+,15+/m1/s1
InChIKey
OJYKYCDSGQGTRJ-GQYWAMEOSA-N
Compound name
(Z)-2-methyl-5-[(1S,2R,4R)-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl]pent-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

75
References

1254
Patents

220.18271 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.189986 158.7
[M+Na]+ 243.171928 164.8
[M-H]- 219.175434 159.6
[M+NH4]+ 238.216533 183.8
[M+K]+ 259.145868 160.2
[M+H-H2O]+ 203.179970 155.2
[M+HCOO]- 265.180911 175.9
[M+CH3COO]- 279.196561 189.2
[M+Na-2H]- 241.157376 158.0
[M]+ 220.18216142 156.9
[M]- 220.18325858 156.9
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.