CID 175760

1-vinyl-4-isopropylbicycloorthocarboxylate

Structural Information

Molecular Formula
C10H16O3
SMILES
CC(C)C12COC(OC1)(OC2)C=C
InChI
InChI=1S/C10H16O3/c1-4-10-11-5-9(6-12-10,7-13-10)8(2)3/h4,8H,1,5-7H2,2-3H3
InChIKey
JGHOJNUPGMAIRW-UHFFFAOYSA-N
Compound name
1-ethenyl-4-propan-2-yl-2,6,7-trioxabicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

184.10994 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.11722 141.9
[M+Na]+ 207.09916 151.8
[M+NH4]+ 202.14376 154.5
[M+K]+ 223.07310 142.9
[M-H]- 183.10266 143.3
[M+Na-2H]- 205.08461 140.9
[M]+ 184.10939 144.0
[M]- 184.11049 144.0
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