CID 17755

3-ethoxypropanal

Structural Information

Molecular Formula
C5H10O2
SMILES
CCOCCC=O
InChI
InChI=1S/C5H10O2/c1-2-7-5-3-4-6/h4H,2-3,5H2,1H3
InChIKey
RKSGQXSDRYHVTM-UHFFFAOYSA-N
Compound name
3-ethoxypropanal
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

599
Patents

102.06808 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.07536 118.3
[M+Na]+ 125.05730 126.3
[M-H]- 101.06080 118.8
[M+NH4]+ 120.10190 141.7
[M+K]+ 141.03124 126.8
[M+H-H2O]+ 85.065340 114.1
[M+HCOO]- 147.06628 143.2
[M+CH3COO]- 161.08193 167.3
[M+Na-2H]- 123.04275 126.1
[M]+ 102.06753 121.5
[M]- 102.06863 121.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe