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]+ 233.153606 152.2
[M+Na]+ 255.135548 161.3
[M-H]- 231.139054 157.2
[M+NH4]+ 250.180153 176.6
[M+K]+ 271.109488 158.3
[M+H-H2O]+ 215.143590 147.6
[M+HCOO]- 277.144531 168.8
[M+CH3COO]- 291.160181 165.1
[M+Na-2H]- 253.120996 158.3
[M]+ 232.14578142 151.7
[M]- 232.14687858 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.