CID 390959

Nsc689212

Structural Information

Molecular Formula
C12H18O3
SMILES
C=CCOCC1C2C1C3(CC2)OCCO3
InChI
InChI=1S/C12H18O3/c1-2-5-13-8-10-9-3-4-12(11(9)10)14-6-7-15-12/h2,9-11H,1,3-8H2
InChIKey
PPOBJUHQGZTBOQ-UHFFFAOYSA-N
Compound name
6'-(prop-2-enoxymethyl)spiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.1256 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.13288 146.8
[M+Na]+ 233.11482 155.9
[M-H]- 209.11832 154.9
[M+NH4]+ 228.15942 164.8
[M+K]+ 249.08876 155.3
[M+H-H2O]+ 193.12286 143.0
[M+HCOO]- 255.12380 165.1
[M+CH3COO]- 269.13945 187.4
[M+Na-2H]- 231.10027 151.8
[M]+ 210.12505 151.2
[M]- 210.12615 151.2
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.