CID 139598174

Ns00053087

Structural Information

Molecular Formula
C15H26O
SMILES
CC1CC2CC(C1)C(C3CC(C3C2)(C)C)O
InChI
InChI=1S/C15H26O/c1-9-4-10-6-11(5-9)14(16)12-8-15(2,3)13(12)7-10/h9-14,16H,4-8H2,1-3H3
InChIKey
ZFZJSMWCXQYIJX-UHFFFAOYSA-N
Compound name
5,5,10-trimethyltricyclo[6.3.1.03,6]dodecan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.19836 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.205636 153.0
[M+Na]+ 245.187578 157.3
[M-H]- 221.191084 156.5
[M+NH4]+ 240.232183 168.6
[M+K]+ 261.161518 158.1
[M+H-H2O]+ 205.195620 146.7
[M+HCOO]- 267.196561 164.6
[M+CH3COO]- 281.212211 197.4
[M+Na-2H]- 243.173026 155.8
[M]+ 222.19781142 155.1
[M]- 222.19890858 155.1
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.