CID 479935

(3r,3as,5as,7r,8s)-3,5a,7,8-tetramethyl-1,2,3,3a,4,5,6,8-octahydrocyclopenta[h]pentalen-7-ol

Structural Information

Molecular Formula
C15H26O
SMILES
C[C@@H]1CCC23[C@H]1CC[C@]2(C[C@@]([C@H]3C)(C)O)C
InChI
InChI=1S/C15H26O/c1-10-5-8-15-11(2)14(4,16)9-13(15,3)7-6-12(10)15/h10-12,16H,5-9H2,1-4H3/t10-,11-,12+,13+,14-,15?/m1/s1
InChIKey
SNSNYEAITDGGIF-LOGRNBMNSA-N
Compound name
(2S,3R,5S,8S,9R)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

222.19836 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 155.1
[M+Na]+ 245.18758 163.5
[M-H]- 221.19108 160.1
[M+NH4]+ 240.23218 185.9
[M+K]+ 261.16152 159.0
[M+H-H2O]+ 205.19562 152.9
[M+HCOO]- 267.19656 172.6
[M+CH3COO]- 281.21221 167.9
[M+Na-2H]- 243.17303 155.5
[M]+ 222.19781 152.9
[M]- 222.19891 152.9
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.