CID 14845386

15-hydroxy-.alpha.-muurolene

Structural Information

Molecular Formula
C15H24O
SMILES
CC1=CCC(C2C1CCC(=C2)CO)C(C)C
InChI
InChI=1S/C15H24O/c1-10(2)13-6-4-11(3)14-7-5-12(9-16)8-15(13)14/h4,8,10,13-16H,5-7,9H2,1-3H3
InChIKey
DFIKBBWSGFHYMP-UHFFFAOYSA-N
Compound name
(5-methyl-8-propan-2-yl-3,4,4a,7,8,8a-hexahydronaphthalen-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

220.18271 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.189986 153.2
[M+Na]+ 243.171928 158.5
[M-H]- 219.175434 155.6
[M+NH4]+ 238.216533 172.5
[M+K]+ 259.145868 155.1
[M+H-H2O]+ 203.179970 147.6
[M+HCOO]- 265.180911 169.0
[M+CH3COO]- 279.196561 191.6
[M+Na-2H]- 241.157376 154.7
[M]+ 220.18216142 149.8
[M]- 220.18325858 149.8
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

patents stripe