CID 10654607

95837-10-8

Structural Information

Molecular Formula
C7H6N2O3
SMILES
C1COC2=C1N=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C7H6N2O3/c10-9(11)7-2-1-6-5(8-7)3-4-12-6/h1-2H,3-4H2
InChIKey
CPTDYXQLDXOWTB-UHFFFAOYSA-N
Compound name
5-nitro-2,3-dihydrofuro[3,2-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

166.03784 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.04512 128.7
[M+Na]+ 189.02706 136.8
[M-H]- 165.03056 132.9
[M+NH4]+ 184.07166 148.6
[M+K]+ 205.00100 132.6
[M+H-H2O]+ 149.03510 127.3
[M+HCOO]- 211.03604 152.3
[M+CH3COO]- 225.05169 170.3
[M+Na-2H]- 187.01251 139.2
[M]+ 166.03729 127.7
[M]- 166.03839 127.7
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