CID 3024244

Einecs 304-720-9

Structural Information

Molecular Formula
C14H24O
SMILES
CC(C)C1CCC(=CC1)CC2CCOC2
InChI
InChI=1S/C14H24O/c1-11(2)14-5-3-12(4-6-14)9-13-7-8-15-10-13/h3,11,13-14H,4-10H2,1-2H3
InChIKey
YRNDMIZMABKVBZ-UHFFFAOYSA-N
Compound name
3-[(4-propan-2-ylcyclohexen-1-yl)methyl]oxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.18271 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.18999 152.3
[M+Na]+ 231.17193 155.4
[M-H]- 207.17543 158.2
[M+NH4]+ 226.21653 171.3
[M+K]+ 247.14587 154.5
[M+H-H2O]+ 191.17997 146.0
[M+HCOO]- 253.18091 169.9
[M+CH3COO]- 267.19656 187.4
[M+Na-2H]- 229.15738 152.7
[M]+ 208.18216 148.1
[M]- 208.18326 148.1
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.