CID 14408092

Chebi:143041

Structural Information

Molecular Formula
C15H22O3
SMILES
CC1=CC2C(CC1)(C3(CC(=O)CC3(O2)CO)C)C
InChI
InChI=1S/C15H22O3/c1-10-4-5-13(2)12(6-10)18-15(9-16)8-11(17)7-14(13,15)3/h6,12,16H,4-5,7-9H2,1-3H3
InChIKey
JJBMWLFFOIHRLZ-UHFFFAOYSA-N
Compound name
3a-(hydroxymethyl)-6,8a,8b-trimethyl-3,4a,7,8-tetrahydro-1H-cyclopenta[b][1]benzofuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.15689 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.16417 156.1
[M+Na]+ 273.14611 165.3
[M-H]- 249.14961 160.9
[M+NH4]+ 268.19071 183.2
[M+K]+ 289.12005 162.2
[M+H-H2O]+ 233.15415 153.5
[M+HCOO]- 295.15509 172.2
[M+CH3COO]- 309.17074 191.5
[M+Na-2H]- 271.13156 160.5
[M]+ 250.15634 156.2
[M]- 250.15744 156.2
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

No patent data available for this compound.