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
2
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]+ 253.179826 161.0
[M+Na]+ 275.161768 165.9
[M-H]- 251.165274 157.2
[M+NH4]+ 270.206373 187.2
[M+K]+ 291.135708 162.2
[M+H-H2O]+ 235.169810 156.0
[M+HCOO]- 297.170751 165.4
[M+CH3COO]- 311.186401 169.7
[M+Na-2H]- 273.147216 168.7
[M]+ 252.17200142 159.9
[M]- 252.17309858 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.