CID 15545711

(3as,4s,9br)-3a,8,9b-trimethyl-1,2,3,4-tetrahydrocyclopenta[c]chromen-4-ol

Structural Information

Molecular Formula
C15H20O2
SMILES
CC1=CC2=C(C=C1)O[C@@H]([C@@]3([C@@]2(CCC3)C)C)O
InChI
InChI=1S/C15H20O2/c1-10-5-6-12-11(9-10)14(2)7-4-8-15(14,3)13(16)17-12/h5-6,9,13,16H,4,7-8H2,1-3H3/t13-,14+,15+/m0/s1
InChIKey
RJCZTDUUHXPXIL-RRFJBIMHSA-N
Compound name
(3aS,4S,9bR)-3a,8,9b-trimethyl-1,2,3,4-tetrahydrocyclopenta[c]chromen-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.14633 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.15361 152.2
[M+Na]+ 255.13555 161.3
[M-H]- 231.13905 157.2
[M+NH4]+ 250.18015 176.6
[M+K]+ 271.10949 158.3
[M+H-H2O]+ 215.14359 147.6
[M+HCOO]- 277.14453 168.8
[M+CH3COO]- 291.16018 165.1
[M+Na-2H]- 253.12100 158.3
[M]+ 232.14578 151.7
[M]- 232.14688 151.7
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

No patent data available for this compound.