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]+ 251.12779 153.0
[M+Na]+ 273.10973 160.5
[M-H]- 249.11323 159.5
[M+NH4]+ 268.15433 173.8
[M+K]+ 289.08367 160.8
[M+H-H2O]+ 233.11777 148.6
[M+HCOO]- 295.11871 167.2
[M+CH3COO]- 309.13436 165.5
[M+Na-2H]- 271.09518 160.6
[M]+ 250.11996 153.5
[M]- 250.12106 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.