CID 103986160

1-ethoxy-3-(oxolan-3-yl)propan-2-one

Structural Information

Molecular Formula
C9H16O3
SMILES
CCOCC(=O)CC1CCOC1
InChI
InChI=1S/C9H16O3/c1-2-11-7-9(10)5-8-3-4-12-6-8/h8H,2-7H2,1H3
InChIKey
BTGYIYOYGFVCOY-UHFFFAOYSA-N
Compound name
1-ethoxy-3-(oxolan-3-yl)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.10994 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.117216 139.0
[M+Na]+ 195.099158 144.2
[M-H]- 171.102664 142.3
[M+NH4]+ 190.143763 159.4
[M+K]+ 211.073098 145.1
[M+H-H2O]+ 155.107200 133.6
[M+HCOO]- 217.108141 160.2
[M+CH3COO]- 231.123791 178.1
[M+Na-2H]- 193.084606 142.7
[M]+ 172.10939142 140.2
[M]- 172.11048858 140.2
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.