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]+ 141.06586 127.0
[M+Na]+ 163.04780 134.7
[M-H]- 139.05130 130.9
[M+NH4]+ 158.09240 147.9
[M+K]+ 179.02174 134.6
[M+H-H2O]+ 123.05584 121.3
[M+HCOO]- 185.05678 152.7
[M+CH3COO]- 199.07243 176.0
[M+Na-2H]- 161.03325 132.0
[M]+ 140.05803 125.4
[M]- 140.05913 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