CID 24990785

Dtxsid70889248

Structural Information

Molecular Formula
C15H24O
SMILES
CC1=CC(OCC1)CC2CC=C(C2(C)C)C
InChI
InChI=1S/C15H24O/c1-11-7-8-16-14(9-11)10-13-6-5-12(2)15(13,3)4/h5,9,13-14H,6-8,10H2,1-4H3
InChIKey
SKVYFQORJTUVTN-UHFFFAOYSA-N
Compound name
4-methyl-6-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]-3,6-dihydro-2H-pyran
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

14
Patents

220.18271 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.189986 151.5
[M+Na]+ 243.171928 158.5
[M-H]- 219.175434 158.8
[M+NH4]+ 238.216533 173.0
[M+K]+ 259.145868 156.9
[M+H-H2O]+ 203.179970 146.3
[M+HCOO]- 265.180911 171.4
[M+CH3COO]- 279.196561 191.0
[M+Na-2H]- 241.157376 153.7
[M]+ 220.18216142 151.0
[M]- 220.18325858 151.0
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