CID 5281532

(2r,6s,7s,10z)-beta-santala-3(15),10-dien-12-ol

Structural Information

Molecular Formula
C15H24O
SMILES
C/C(=C/CCC1(C2CCC(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-
InChIKey
OJYKYCDSGQGTRJ-WZUFQYTHSA-N
Compound name
(Z)-2-methyl-5-(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

literature stripe

Patent stripe

patents stripe