CID 428038

104174-59-6

Structural Information

Molecular Formula
C11H17NO3
SMILES
CCN(CC)CCOC(=O)C1=CC=CO1
InChI
InChI=1S/C11H17NO3/c1-3-12(4-2)7-9-15-11(13)10-6-5-8-14-10/h5-6,8H,3-4,7,9H2,1-2H3
InChIKey
BAJNUCATVJHXMI-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl furan-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.12085 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.12813 149.6
[M+Na]+ 234.11007 155.3
[M-H]- 210.11357 154.8
[M+NH4]+ 229.15467 169.0
[M+K]+ 250.08401 156.6
[M+H-H2O]+ 194.11811 143.0
[M+HCOO]- 256.11905 174.6
[M+CH3COO]- 270.13470 191.1
[M+Na-2H]- 232.09552 153.6
[M]+ 211.12030 154.8
[M]- 211.12140 154.8
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.