CID 104607886

Methyl 5-(aminomethyl)furan-3-carboxylate hydrochloride

Structural Information

Molecular Formula
C7H9NO3
SMILES
COC(=O)C1=COC(=C1)CN
InChI
InChI=1S/C7H9NO3/c1-10-7(9)5-2-6(3-8)11-4-5/h2,4H,3,8H2,1H3
InChIKey
UJHGFVLIPQVQJX-UHFFFAOYSA-N
Compound name
methyl 5-(aminomethyl)furan-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.05824 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.065516 130.1
[M+Na]+ 178.047458 138.3
[M-H]- 154.050964 134.4
[M+NH4]+ 173.092063 151.2
[M+K]+ 194.021398 138.9
[M+H-H2O]+ 138.055500 124.8
[M+HCOO]- 200.056441 155.4
[M+CH3COO]- 214.072091 176.0
[M+Na-2H]- 176.032906 135.4
[M]+ 155.05769142 132.1
[M]- 155.05878858 132.1
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.