CID 3037228

13-oxabicyclo[10.1.0]trideca-4,8-diene,trimethyl-

Structural Information

Molecular Formula
C15H24O
SMILES
CC1(CC=CCCC=CCCC2C1(O2)C)C
InChI
InChI=1S/C15H24O/c1-14(2)12-10-8-6-4-5-7-9-11-13-15(14,3)16-13/h5,7-8,10,13H,4,6,9,11-12H2,1-3H3
InChIKey
PUXIGTZUWRBNMW-UHFFFAOYSA-N
Compound name
1,2,2-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

291
Patents

220.18271 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 148.2
[M+Na]+ 243.17193 156.3
[M-H]- 219.17543 152.4
[M+NH4]+ 238.21653 163.1
[M+K]+ 259.14587 158.2
[M+H-H2O]+ 203.17997 147.1
[M+HCOO]- 265.18091 165.5
[M+CH3COO]- 279.19656 187.5
[M+Na-2H]- 241.15738 155.2
[M]+ 220.18216 147.8
[M]- 220.18326 147.8
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