CID 113493

98167-54-5

Structural Information

Molecular Formula
C16H28O
SMILES
CC1CCC2(C(C3CCC2(C1C3)C)(C)C)OC
InChI
InChI=1S/C16H28O/c1-11-6-9-16(17-5)14(2,3)12-7-8-15(16,4)13(11)10-12/h11-13H,6-10H2,1-5H3
InChIKey
CHNNZHWOFUDAHP-UHFFFAOYSA-N
Compound name
3-methoxy-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.21402 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.22130 158.3
[M+Na]+ 259.20324 163.6
[M-H]- 235.20674 157.2
[M+NH4]+ 254.24784 186.7
[M+K]+ 275.17718 159.9
[M+H-H2O]+ 219.21128 151.6
[M+HCOO]- 281.21222 165.9
[M+CH3COO]- 295.22787 168.1
[M+Na-2H]- 257.18869 166.6
[M]+ 236.21347 158.8
[M]- 236.21457 158.8
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.