CID 3780876

2-[(2-furylmethyl)amino]pentanedioic acid

Structural Information

Molecular Formula
C10H13NO5
SMILES
C1=COC(=C1)CNC(CCC(=O)O)C(=O)O
InChI
InChI=1S/C10H13NO5/c12-9(13)4-3-8(10(14)15)11-6-7-2-1-5-16-7/h1-2,5,8,11H,3-4,6H2,(H,12,13)(H,14,15)
InChIKey
MHDOZIRRVSFXSE-UHFFFAOYSA-N
Compound name
2-(furan-2-ylmethylamino)pentanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.07938 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.08666 150.7
[M+Na]+ 250.06860 156.9
[M+NH4]+ 245.11320 155.1
[M+K]+ 266.04254 157.2
[M-H]- 226.07210 149.7
[M+Na-2H]- 248.05405 151.5
[M]+ 227.07883 150.6
[M]- 227.07993 150.6
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.