CID 11085796

Cedryl methyl ether

Structural Information

Molecular Formula
C16H28O
SMILES
C[C@@H]1CC[C@@H]2[C@]13CC[C@@]([C@H](C3)C2(C)C)(C)OC
InChI
InChI=1S/C16H28O/c1-11-6-7-12-14(2,3)13-10-16(11,12)9-8-15(13,4)17-5/h11-13H,6-10H2,1-5H3/t11-,12+,13-,15-,16+/m1/s1
InChIKey
HRGPYCVTDOECMG-RHBQXOTJSA-N
Compound name
(1S,2R,5S,7R,8R)-8-methoxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

3646
Patents

236.21402 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.22130 158.1
[M+Na]+ 259.20324 166.0
[M-H]- 235.20674 162.4
[M+NH4]+ 254.24784 188.0
[M+K]+ 275.17718 162.0
[M+H-H2O]+ 219.21128 154.5
[M+HCOO]- 281.21222 174.3
[M+CH3COO]- 295.22787 195.2
[M+Na-2H]- 257.18869 160.4
[M]+ 236.21347 157.6
[M]- 236.21457 157.6
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

patents stripe