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]+ 156.06552 130.1
[M+Na]+ 178.04746 138.3
[M-H]- 154.05096 134.4
[M+NH4]+ 173.09206 151.2
[M+K]+ 194.02140 138.9
[M+H-H2O]+ 138.05550 124.8
[M+HCOO]- 200.05644 155.4
[M+CH3COO]- 214.07209 176.0
[M+Na-2H]- 176.03291 135.4
[M]+ 155.05769 132.1
[M]- 155.05879 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.