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 138.4
[M+Na]+ 207.09916 143.7
[M-H]- 183.10266 137.3
[M+NH4]+ 202.14376 162.3
[M+K]+ 223.07310 145.9
[M+H-H2O]+ 167.10720 133.7
[M+HCOO]- 229.10814 147.0
[M+CH3COO]- 243.12379 149.9
[M+Na-2H]- 205.08461 152.8
[M]+ 184.10939 142.9
[M]- 184.11049 142.9
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