CID 84654377

1783384-33-7

Structural Information

Molecular Formula
C8H12O4
SMILES
COC(=O)CC1COCCC1=O
InChI
InChI=1S/C8H12O4/c1-11-8(10)4-6-5-12-3-2-7(6)9/h6H,2-5H2,1H3
InChIKey
FLMVCEBUYZOLLJ-UHFFFAOYSA-N
Compound name
methyl 2-(4-oxooxan-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.07356 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.08084 133.9
[M+Na]+ 195.06278 139.9
[M-H]- 171.06628 137.7
[M+NH4]+ 190.10738 152.8
[M+K]+ 211.03672 141.2
[M+H-H2O]+ 155.07082 128.4
[M+HCOO]- 217.07176 153.9
[M+CH3COO]- 231.08741 177.1
[M+Na-2H]- 193.04823 139.0
[M]+ 172.07301 133.9
[M]- 172.07411 133.9
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.