CID 360969

Nsc623700

Structural Information

Molecular Formula
C7H10O5
SMILES
CC(=O)OC1CCC2OC1OO2
InChI
InChI=1S/C7H10O5/c1-4(8)9-5-2-3-6-10-7(5)12-11-6/h5-7H,2-3H2,1H3
InChIKey
SRNSUEFQKGIEPL-UHFFFAOYSA-N
Compound name
6,7,8-trioxabicyclo[3.2.1]octan-2-yl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.05283 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.06011 131.4
[M+Na]+ 197.04205 138.2
[M-H]- 173.04555 135.9
[M+NH4]+ 192.08665 150.9
[M+K]+ 213.01599 141.9
[M+H-H2O]+ 157.05009 127.6
[M+HCOO]- 219.05103 148.6
[M+CH3COO]- 233.06668 176.9
[M+Na-2H]- 195.02750 139.5
[M]+ 174.05228 134.4
[M]- 174.05338 134.4
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.