CID 88900

Cedr-8-en-15-ol

Structural Information

Molecular Formula
C15H24O
SMILES
C[C@@H]1CC[C@@H]2[C@]13CC=C([C@H](C3)C2(C)C)CO
InChI
InChI=1S/C15H24O/c1-10-4-5-13-14(2,3)12-8-15(10,13)7-6-11(12)9-16/h6,10,12-13,16H,4-5,7-9H2,1-3H3/t10-,12+,13+,15+/m1/s1
InChIKey
FUZABTYGEVJEPT-HTUGSXCWSA-N
Compound name
[(1S,2R,5S,7R)-2,6,6-trimethyl-8-tricyclo[5.3.1.01,5]undec-8-enyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

220.18271 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 154.6
[M+Na]+ 243.17193 162.4
[M-H]- 219.17543 157.8
[M+NH4]+ 238.21653 182.7
[M+K]+ 259.14587 157.8
[M+H-H2O]+ 203.17997 151.0
[M+HCOO]- 265.18091 171.1
[M+CH3COO]- 279.19656 166.9
[M+Na-2H]- 241.15738 156.7
[M]+ 220.18216 153.0
[M]- 220.18326 153.0
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