CID 154699551

Ns00117311

Structural Information

Molecular Formula
C15H24O3
SMILES
C[C@]12CC[C@@H]3C[C@H]1[C@H](CC[C@]2(C3(C)C)O)C(=O)O
InChI
InChI=1S/C15H24O3/c1-13(2)9-4-6-14(3)11(8-9)10(12(16)17)5-7-15(13,14)18/h9-11,18H,4-8H2,1-3H3,(H,16,17)/t9-,10+,11+,14+,15-/m1/s1
InChIKey
DHFKAKCKGXSZQB-YRRINSJYSA-N
Compound name
(1R,3S,4S,7R,8S)-7-hydroxy-8,11,11-trimethyltricyclo[5.3.1.03,8]undecane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.17255 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.17983 161.0
[M+Na]+ 275.16177 165.9
[M-H]- 251.16527 157.2
[M+NH4]+ 270.20637 187.2
[M+K]+ 291.13571 162.2
[M+H-H2O]+ 235.16981 156.0
[M+HCOO]- 297.17075 165.4
[M+CH3COO]- 311.18640 169.7
[M+Na-2H]- 273.14722 168.7
[M]+ 252.17200 159.9
[M]- 252.17310 159.9
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.