CID 6373783

Nsc303601

Structural Information

Molecular Formula
C8H10N2O4
SMILES
CCC/[N+](=C/C1=CC=C(O1)[N+](=O)[O-])/[O-]
InChI
InChI=1S/C8H10N2O4/c1-2-5-9(11)6-7-3-4-8(14-7)10(12)13/h3-4,6H,2,5H2,1H3/b9-6-
InChIKey
DEIVDBWMJZJTIF-TWGQIWQCSA-N
Compound name
1-(5-nitrofuran-2-yl)-N-propylmethanimine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.06406 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.07134 146.6
[M+Na]+ 221.05328 152.6
[M-H]- 197.05678 150.8
[M+NH4]+ 216.09788 164.1
[M+K]+ 237.02722 144.2
[M+H-H2O]+ 181.06132 149.8
[M+HCOO]- 243.06226 172.5
[M+CH3COO]- 257.07791 173.3
[M+Na-2H]- 219.03873 155.0
[M]+ 198.06351 144.9
[M]- 198.06461 144.9
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

No patent data available for this compound.