CID 24990784

Dtxsid30889249

Structural Information

Molecular Formula
C15H24O
SMILES
CC1=CCC(C1(C)C)CC2CC(=C)CCO2
InChI
InChI=1S/C15H24O/c1-11-7-8-16-14(9-11)10-13-6-5-12(2)15(13,3)4/h5,13-14H,1,6-10H2,2-4H3
InChIKey
CLNHETGNUKUWNQ-UHFFFAOYSA-N
Compound name
4-methylidene-2-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]oxane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

14
Patents

220.18271 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.189986 152.1
[M+Na]+ 243.171928 158.3
[M-H]- 219.175434 159.0
[M+NH4]+ 238.216533 173.4
[M+K]+ 259.145868 156.2
[M+H-H2O]+ 203.179970 147.0
[M+HCOO]- 265.180911 170.7
[M+CH3COO]- 279.196561 190.5
[M+Na-2H]- 241.157376 153.3
[M]+ 220.18216142 149.4
[M]- 220.18325858 149.4
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