CID 6441522

Einecs 249-893-0

Structural Information

Molecular Formula
C15H24O
SMILES
CC/1C/C=C\C(C(C2C(O2)CC/C=C1)C)C
InChI
InChI=1S/C15H24O/c1-11-7-4-5-10-14-15(16-14)13(3)12(2)9-6-8-11/h4,6-7,9,11-15H,5,8,10H2,1-3H3/b7-4-,9-6-
InChIKey
CRWCFTCFWWMTPC-FVQWLBQJSA-N
Compound name
(4Z,8Z)-2,3,7-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

220.18271 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.189986 145.4
[M+Na]+ 243.171928 153.9
[M-H]- 219.175434 149.6
[M+NH4]+ 238.216533 157.2
[M+K]+ 259.145868 153.7
[M+H-H2O]+ 203.179970 143.2
[M+HCOO]- 265.180911 163.5
[M+CH3COO]- 279.196561 190.3
[M+Na-2H]- 241.157376 149.6
[M]+ 220.18216142 145.0
[M]- 220.18325858 145.0
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

No patent data available for this compound.