CID 5281531

Alpha-santal-10-en-12-ol

Structural Information

Molecular Formula
C15H24O
SMILES
C/C(=C/CCC1(C2CC3C1(C3C2)C)C)/CO
InChI
InChI=1S/C15H24O/c1-10(9-16)5-4-6-14(2)11-7-12-13(8-11)15(12,14)3/h5,11-13,16H,4,6-9H2,1-3H3/b10-5-
InChIKey
PDEQKAVEYSOLJX-YHYXMXQVSA-N
Compound name
(Z)-5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpent-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

3
References

1911
Patents

220.18271 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 153.9
[M+Na]+ 243.17193 162.8
[M-H]- 219.17543 154.8
[M+NH4]+ 238.21653 179.7
[M+K]+ 259.14587 156.9
[M+H-H2O]+ 203.17997 152.1
[M+HCOO]- 265.18091 167.1
[M+CH3COO]- 279.19656 165.4
[M+Na-2H]- 241.15738 157.3
[M]+ 220.18216 162.2
[M]- 220.18326 162.2
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