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

641
Patents

158.02153 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.02881 123.3
[M+Na]+ 181.01075 134.2
[M-H]- 157.01425 129.2
[M+NH4]+ 176.05535 143.8
[M+K]+ 196.98469 136.3
[M+H-H2O]+ 141.01879 119.0
[M+HCOO]- 203.01973 149.2
[M+CH3COO]- 217.03538 173.4
[M+Na-2H]- 178.99620 131.7
[M]+ 158.02098 130.7
[M]- 158.02208 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