CID 155791

14-hydroxycaryophyllene oxide

Structural Information

Molecular Formula
C15H24O2
SMILES
CC12CCC3C(CC3(C)CO)C(=C)CCC1O2
InChI
InChI=1S/C15H24O2/c1-10-4-5-13-15(3,17-13)7-6-12-11(10)8-14(12,2)9-16/h11-13,16H,1,4-9H2,2-3H3
InChIKey
XLKXIWMHACWINL-UHFFFAOYSA-N
Compound name
(4,12-dimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecan-12-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

236.17763 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.184906 148.9
[M+Na]+ 259.166848 160.1
[M-H]- 235.170354 153.2
[M+NH4]+ 254.211453 153.6
[M+K]+ 275.140788 157.1
[M+H-H2O]+ 219.174890 146.8
[M+HCOO]- 281.175831 155.2
[M+CH3COO]- 295.191481 156.7
[M+Na-2H]- 257.152296 159.6
[M]+ 236.17708142 154.3
[M]- 236.17817858 154.3
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