CID 154699933

Ns00117654

Structural Information

Molecular Formula
C15H26O2
SMILES
C[C@]12CC[C@@H]3C[C@H]1[C@H](CC[C@]2(C3(C)C)O)CO
InChI
InChI=1S/C15H26O2/c1-13(2)11-5-6-14(3)12(8-11)10(9-16)4-7-15(13,14)17/h10-12,16-17H,4-9H2,1-3H3/t10-,11-,12+,14+,15-/m1/s1
InChIKey
RTSORXBIZDRAMP-RKEKIRQTSA-N
Compound name
(1R,3R,6S,7S,8S)-6-(hydroxymethyl)-2,2,8-trimethyltricyclo[5.3.1.03,8]undecan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.19328 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.20056 159.3
[M+Na]+ 261.18250 164.4
[M-H]- 237.18600 155.6
[M+NH4]+ 256.22710 186.3
[M+K]+ 277.15644 160.0
[M+H-H2O]+ 221.19054 153.8
[M+HCOO]- 283.19148 164.5
[M+CH3COO]- 297.20713 168.2
[M+Na-2H]- 259.16795 167.7
[M]+ 238.19273 157.9
[M]- 238.19383 157.9
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.