CID 15923336

160938-84-1

Structural Information

Molecular Formula
C7H9NO3
SMILES
COC(=O)C1=CC=C(O1)CN
InChI
InChI=1S/C7H9NO3/c1-10-7(9)6-3-2-5(4-8)11-6/h2-3H,4,8H2,1H3
InChIKey
HXZRHZUUJMJRJT-UHFFFAOYSA-N
Compound name
methyl 5-(aminomethyl)furan-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

155.05824 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.06552 130.8
[M+Na]+ 178.04746 140.5
[M+NH4]+ 173.09206 138.1
[M+K]+ 194.02140 138.6
[M-H]- 154.05096 132.7
[M+Na-2H]- 176.03291 134.7
[M]+ 155.05769 132.3
[M]- 155.05879 132.3
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

patents stripe