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
2
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]+ 239.200556 159.3
[M+Na]+ 261.182498 164.4
[M-H]- 237.186004 155.6
[M+NH4]+ 256.227103 186.3
[M+K]+ 277.156438 160.0
[M+H-H2O]+ 221.190540 153.8
[M+HCOO]- 283.191481 164.5
[M+CH3COO]- 297.207131 168.2
[M+Na-2H]- 259.167946 167.7
[M]+ 238.19273142 157.9
[M]- 238.19382858 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.