CID 139595705

Ns00062392

Structural Information

Molecular Formula
C15H26O
SMILES
C[C@H]1CC2CC3C1C(C2(C)O)(CCC3C)C
InChI
InChI=1S/C15H26O/c1-9-5-6-14(3)13-10(2)7-11(8-12(9)13)15(14,4)16/h9-13,16H,5-8H2,1-4H3/t9?,10-,11?,12?,13?,14?,15?/m0/s1
InChIKey
KCFXUUKNLMVCNA-KKPFBDQLSA-N
Compound name
(9S)-2,3,6,9-tetramethyltricyclo[5.3.1.03,8]undecan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.19836 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.205636 154.9
[M+Na]+ 245.187578 160.0
[M-H]- 221.191084 152.6
[M+NH4]+ 240.232183 181.6
[M+K]+ 261.161518 155.9
[M+H-H2O]+ 205.195620 149.4
[M+HCOO]- 267.196561 161.4
[M+CH3COO]- 281.212211 164.5
[M+Na-2H]- 243.173026 161.9
[M]+ 222.19781142 153.4
[M]- 222.19890858 153.4
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.