CID 10702077

(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl formate

Structural Information

Molecular Formula
C6H6O5
SMILES
CC1=C(OC(=O)O1)COC=O
InChI
InChI=1S/C6H6O5/c1-4-5(2-9-3-7)11-6(8)10-4/h3H,2H2,1H3
InChIKey
IBKZORCVTJQMQE-UHFFFAOYSA-N
Compound name
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl formate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

647
Patents

158.02153 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.028806 123.3
[M+Na]+ 181.010748 134.2
[M-H]- 157.014254 129.2
[M+NH4]+ 176.055353 143.8
[M+K]+ 196.984688 136.3
[M+H-H2O]+ 141.018790 119.0
[M+HCOO]- 203.019731 149.2
[M+CH3COO]- 217.035381 173.4
[M+Na-2H]- 178.996196 131.7
[M]+ 158.02098142 130.7
[M]- 158.02207858 130.7
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