CID 19780777

Einecs 281-761-8

Structural Information

Molecular Formula
C14H24O
SMILES
CC1(CCC2C(=C)C1CCC2(C)OC)C
InChI
InChI=1S/C14H24O/c1-10-11-7-9-14(4,15-5)12(10)6-8-13(11,2)3/h11-12H,1,6-9H2,2-5H3
InChIKey
SCWCQOUPVCAQJQ-UHFFFAOYSA-N
Compound name
2-methoxy-2,6,6-trimethyl-9-methylidenebicyclo[3.3.1]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

208.18271 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.18999 148.2
[M+Na]+ 231.17193 155.2
[M-H]- 207.17543 150.9
[M+NH4]+ 226.21653 173.3
[M+K]+ 247.14587 152.6
[M+H-H2O]+ 191.17997 144.0
[M+HCOO]- 253.18091 163.8
[M+CH3COO]- 267.19656 190.8
[M+Na-2H]- 229.15738 153.2
[M]+ 208.18216 145.9
[M]- 208.18326 145.9
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