CID 381489

Nsc668174

Structural Information

Molecular Formula
C14H20O4
SMILES
CC1C(OC2CC1(C3(C=C2)OCCO3)CC=C)O
InChI
InChI=1S/C14H20O4/c1-3-5-13-9-11(18-12(15)10(13)2)4-6-14(13)16-7-8-17-14/h3-4,6,10-12,15H,1,5,7-9H2,2H3
InChIKey
BAFRUKBHUMMBEZ-UHFFFAOYSA-N
Compound name
4'-methyl-5'-prop-2-enylspiro[1,3-dioxolane-2,6'-2-oxabicyclo[3.3.1]non-7-ene]-3'-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.13615 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.14343 155.2
[M+Na]+ 275.12537 162.0
[M-H]- 251.12887 160.2
[M+NH4]+ 270.16997 175.3
[M+K]+ 291.09931 162.0
[M+H-H2O]+ 235.13341 150.9
[M+HCOO]- 297.13435 167.7
[M+CH3COO]- 311.15000 166.9
[M+Na-2H]- 273.11082 162.3
[M]+ 252.13560 154.6
[M]- 252.13670 154.6
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.