CID 103691562

2-(aminomethyl)furan-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C6H7NO3
SMILES
C1=COC(=C1C(=O)O)CN
InChI
InChI=1S/C6H7NO3/c7-3-5-4(6(8)9)1-2-10-5/h1-2H,3,7H2,(H,8,9)
InChIKey
WNUDBDIZXJVVLJ-UHFFFAOYSA-N
Compound name
2-(aminomethyl)furan-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.04259 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.049866 125.9
[M+Na]+ 164.031808 134.0
[M-H]- 140.035314 128.9
[M+NH4]+ 159.076413 146.7
[M+K]+ 180.005748 133.9
[M+H-H2O]+ 124.039850 120.8
[M+HCOO]- 186.040791 149.9
[M+CH3COO]- 200.056441 171.1
[M+Na-2H]- 162.017256 131.2
[M]+ 141.04204142 125.6
[M]- 141.04313858 125.6
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

No patent data available for this compound.