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]+ 173.11722 139.0
[M+Na]+ 195.09916 144.2
[M-H]- 171.10266 142.3
[M+NH4]+ 190.14376 159.4
[M+K]+ 211.07310 145.1
[M+H-H2O]+ 155.10720 133.6
[M+HCOO]- 217.10814 160.2
[M+CH3COO]- 231.12379 178.1
[M+Na-2H]- 193.08461 142.7
[M]+ 172.10939 140.2
[M]- 172.11049 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.