CID 5483563

10187-90-3

Structural Information

Molecular Formula
C9H11N5O3
SMILES
CCCNC1=NNC(=N1)C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C9H11N5O3/c1-2-5-10-9-11-8(12-13-9)6-3-4-7(17-6)14(15)16/h3-4H,2,5H2,1H3,(H2,10,11,12,13)
InChIKey
ZLNLRWHLKXFYMC-UHFFFAOYSA-N
Compound name
5-(5-nitrofuran-2-yl)-N-propyl-1H-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.08618 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.09346 147.1
[M+Na]+ 260.07540 155.0
[M-H]- 236.07890 150.7
[M+NH4]+ 255.12000 161.1
[M+K]+ 276.04934 149.1
[M+H-H2O]+ 220.08344 143.0
[M+HCOO]- 282.08438 171.9
[M+CH3COO]- 296.10003 183.2
[M+Na-2H]- 258.06085 155.2
[M]+ 237.08563 147.3
[M]- 237.08673 147.3
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.