CID 14433038

3beta-dihydroxymarasmene

Structural Information

Molecular Formula
C15H22O3
SMILES
CC1(C(CCC23C1CC=C4C2C(OC4)OC3)O)C
InChI
InChI=1S/C15H22O3/c1-14(2)10-4-3-9-7-17-13-12(9)15(10,8-18-13)6-5-11(14)16/h3,10-13,16H,4-8H2,1-2H3
InChIKey
DJJQAEJJUDCQHY-UHFFFAOYSA-N
Compound name
5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-en-4-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

250.15689 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.16417 155.7
[M+Na]+ 273.14611 162.6
[M-H]- 249.14961 161.2
[M+NH4]+ 268.19071 180.1
[M+K]+ 289.12005 160.7
[M+H-H2O]+ 233.15415 151.9
[M+HCOO]- 295.15509 167.8
[M+CH3COO]- 309.17074 167.5
[M+Na-2H]- 271.13156 159.5
[M]+ 250.15634 154.3
[M]- 250.15744 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