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

13
Patents

220.18271 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 152.1
[M+Na]+ 243.17193 158.3
[M-H]- 219.17543 159.0
[M+NH4]+ 238.21653 173.4
[M+K]+ 259.14587 156.2
[M+H-H2O]+ 203.17997 147.0
[M+HCOO]- 265.18091 170.7
[M+CH3COO]- 279.19656 190.5
[M+Na-2H]- 241.15738 153.3
[M]+ 220.18216 149.4
[M]- 220.18326 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