CID 768638

5-diethylamino-furan-2-carbaldehyde

Structural Information

Molecular Formula
C9H13NO2
SMILES
CCN(CC)C1=CC=C(O1)C=O
InChI
InChI=1S/C9H13NO2/c1-3-10(4-2)9-6-5-8(7-11)12-9/h5-7H,3-4H2,1-2H3
InChIKey
CSLVNCXGGVYESC-UHFFFAOYSA-N
Compound name
5-(diethylamino)furan-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

5
Patents

167.09464 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.10192 135.5
[M+Na]+ 190.08386 143.3
[M-H]- 166.08736 141.4
[M+NH4]+ 185.12846 157.1
[M+K]+ 206.05780 144.2
[M+H-H2O]+ 150.09190 129.8
[M+HCOO]- 212.09284 162.0
[M+CH3COO]- 226.10849 183.9
[M+Na-2H]- 188.06931 141.3
[M]+ 167.09409 139.7
[M]- 167.09519 139.7
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