CID 24990786

Dtxsid10889247

Structural Information

Molecular Formula
C15H24O
SMILES
CC1=CCOC(C1)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/h5,7,13-14H,6,8-10H2,1-4H3
InChIKey
KGRRKFWSBDRXEE-UHFFFAOYSA-N
Compound name
4-methyl-2-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]-3,6-dihydro-2H-pyran
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

13
Patents

220.18271 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 151.5
[M+Na]+ 243.17193 158.5
[M-H]- 219.17543 158.8
[M+NH4]+ 238.21653 173.0
[M+K]+ 259.14587 156.9
[M+H-H2O]+ 203.17997 146.3
[M+HCOO]- 265.18091 171.4
[M+CH3COO]- 279.19656 191.0
[M+Na-2H]- 241.15738 153.7
[M]+ 220.18216 151.0
[M]- 220.18326 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