CID 208440

32154-96-4

Structural Information

Molecular Formula
C14H22O4
SMILES
CC1C2C=CC(C1C3OCCCO3)C2(OC)OC
InChI
InChI=1S/C14H22O4/c1-9-10-5-6-11(14(10,15-2)16-3)12(9)13-17-7-4-8-18-13/h5-6,9-13H,4,7-8H2,1-3H3
InChIKey
NVDBJRBZEDSRSY-UHFFFAOYSA-N
Compound name
2-(7,7-dimethoxy-3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.15181 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.15909 156.5
[M+Na]+ 277.14103 163.3
[M-H]- 253.14453 163.6
[M+NH4]+ 272.18563 178.3
[M+K]+ 293.11497 163.8
[M+H-H2O]+ 237.14907 152.8
[M+HCOO]- 299.15001 173.7
[M+CH3COO]- 313.16566 194.1
[M+Na-2H]- 275.12648 159.7
[M]+ 254.15126 159.3
[M]- 254.15236 159.3
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