CID 23070132

5-(aminomethyl)furan-2-carboxamide hydrochloride

Structural Information

Molecular Formula
C6H8N2O2
SMILES
C1=C(OC(=C1)C(=O)N)CN
InChI
InChI=1S/C6H8N2O2/c7-3-4-1-2-5(10-4)6(8)9/h1-2H,3,7H2,(H2,8,9)
InChIKey
JTTFWLPDBVLKEB-UHFFFAOYSA-N
Compound name
5-(aminomethyl)furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

140.05858 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.065856 127.0
[M+Na]+ 163.047798 134.7
[M-H]- 139.051304 130.9
[M+NH4]+ 158.092403 147.9
[M+K]+ 179.021738 134.6
[M+H-H2O]+ 123.055840 121.3
[M+HCOO]- 185.056781 152.7
[M+CH3COO]- 199.072431 176.0
[M+Na-2H]- 161.033246 132.0
[M]+ 140.05803142 125.4
[M]- 140.05912858 125.4
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

patents stripe