CID 12814399

Dtxsid30510541

Structural Information

Molecular Formula
C13H24O
SMILES
CCCOC(C)(C)C1CCC(=CC1)C
InChI
InChI=1S/C13H24O/c1-5-10-14-13(3,4)12-8-6-11(2)7-9-12/h6,12H,5,7-10H2,1-4H3
InChIKey
VUBWQNWPFCKMMI-UHFFFAOYSA-N
Compound name
1-methyl-4-(2-propoxypropan-2-yl)cyclohexene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.18271 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.18999 148.3
[M+Na]+ 219.17193 153.4
[M-H]- 195.17543 151.2
[M+NH4]+ 214.21653 168.1
[M+K]+ 235.14587 152.0
[M+H-H2O]+ 179.17997 142.9
[M+HCOO]- 241.18091 167.4
[M+CH3COO]- 255.19656 187.7
[M+Na-2H]- 217.15738 152.5
[M]+ 196.18216 148.2
[M]- 196.18326 148.2
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.