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]+ 142.04987 125.9
[M+Na]+ 164.03181 134.0
[M-H]- 140.03531 128.9
[M+NH4]+ 159.07641 146.7
[M+K]+ 180.00575 133.9
[M+H-H2O]+ 124.03985 120.8
[M+HCOO]- 186.04079 149.9
[M+CH3COO]- 200.05644 171.1
[M+Na-2H]- 162.01726 131.2
[M]+ 141.04204 125.6
[M]- 141.04314 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.