CID 13211642

(5-nitrofuran-2-yl)methanamine hydrochloride

Structural Information

Molecular Formula
C5H6N2O3
SMILES
C1=C(OC(=C1)[N+](=O)[O-])CN
InChI
InChI=1S/C5H6N2O3/c6-3-4-1-2-5(10-4)7(8)9/h1-2H,3,6H2
InChIKey
IQVPHXCRBFPVQJ-UHFFFAOYSA-N
Compound name
(5-nitrofuran-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

142.03784 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.04512 124.4
[M+Na]+ 165.02706 132.1
[M-H]- 141.03056 128.7
[M+NH4]+ 160.07166 145.0
[M+K]+ 181.00100 128.4
[M+H-H2O]+ 125.03510 123.6
[M+HCOO]- 187.03604 151.7
[M+CH3COO]- 201.05169 167.7
[M+Na-2H]- 163.01251 133.1
[M]+ 142.03729 122.9
[M]- 142.03839 122.9
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