CID 3024497

95873-66-8

Structural Information

Molecular Formula
C8H10O4
SMILES
C1C(C=CC1OC=O)COC=O
InChI
InChI=1S/C8H10O4/c9-5-11-4-7-1-2-8(3-7)12-6-10/h1-2,5-8H,3-4H2
InChIKey
MEPOSOVTGFPBQX-UHFFFAOYSA-N
Compound name
(4-formyloxycyclopent-2-en-1-yl)methyl formate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.0579 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.065176 132.4
[M+Na]+ 193.047118 140.4
[M-H]- 169.050624 136.0
[M+NH4]+ 188.091723 154.5
[M+K]+ 209.021058 140.0
[M+H-H2O]+ 153.055160 127.1
[M+HCOO]- 215.056101 157.8
[M+CH3COO]- 229.071751 176.2
[M+Na-2H]- 191.032566 137.4
[M]+ 170.05735142 135.9
[M]- 170.05844858 135.9
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

No patent data available for this compound.