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]+ 212.128126 149.6
[M+Na]+ 234.110068 155.3
[M-H]- 210.113574 154.8
[M+NH4]+ 229.154673 169.0
[M+K]+ 250.084008 156.6
[M+H-H2O]+ 194.118110 143.0
[M+HCOO]- 256.119051 174.6
[M+CH3COO]- 270.134701 191.1
[M+Na-2H]- 232.095516 153.6
[M]+ 211.12030142 154.8
[M]- 211.12139858 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.