CID 381488

Nsc668173

Structural Information

Molecular Formula
C14H18O4
SMILES
CC1C(=O)OC2CC1(C3(C=C2)OCCO3)CC=C
InChI
InChI=1S/C14H18O4/c1-3-5-13-9-11(18-12(15)10(13)2)4-6-14(13)16-7-8-17-14/h3-4,6,10-11H,1,5,7-9H2,2H3
InChIKey
JNFQGFLNZDIVEC-UHFFFAOYSA-N
Compound name
4'-methyl-5'-prop-2-enylspiro[1,3-dioxolane-2,6'-2-oxabicyclo[3.3.1]non-7-ene]-3'-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.12051 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.127786 153.0
[M+Na]+ 273.109728 160.5
[M-H]- 249.113234 159.5
[M+NH4]+ 268.154333 173.8
[M+K]+ 289.083668 160.8
[M+H-H2O]+ 233.117770 148.6
[M+HCOO]- 295.118711 167.2
[M+CH3COO]- 309.134361 165.5
[M+Na-2H]- 271.095176 160.6
[M]+ 250.11996142 153.5
[M]- 250.12105858 153.5
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.