CID 11469

2-(methoxymethyl)-5-nitrofuran

Structural Information

Molecular Formula
C6H7NO4
SMILES
COCC1=CC=C(O1)[N+](=O)[O-]
InChI
InChI=1S/C6H7NO4/c1-10-4-5-2-3-6(11-5)7(8)9/h2-3H,4H2,1H3
InChIKey
JXUMCVDPMJWGSI-UHFFFAOYSA-N
Compound name
2-(methoxymethyl)-5-nitrofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

387
Patents

157.0375 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.044776 128.7
[M+Na]+ 180.026718 136.9
[M-H]- 156.030224 133.5
[M+NH4]+ 175.071323 149.4
[M+K]+ 196.000658 134.0
[M+H-H2O]+ 140.034760 128.2
[M+HCOO]- 202.035701 155.6
[M+CH3COO]- 216.051351 168.9
[M+Na-2H]- 178.012166 137.7
[M]+ 157.03695142 130.8
[M]- 157.03804858 130.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe