CID 200950

Brn 0198377

Structural Information

Molecular Formula
C9H12N2O4
SMILES
CCCCOC(=O)OC1=NNC(=O)C=C1
InChI
InChI=1S/C9H12N2O4/c1-2-3-6-14-9(13)15-8-5-4-7(12)10-11-8/h4-5H,2-3,6H2,1H3,(H,10,12)
InChIKey
UMKFPHKVWLBQQX-UHFFFAOYSA-N
Compound name
butyl (6-oxo-1H-pyridazin-3-yl) carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.07971 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.08699 143.7
[M+Na]+ 235.06893 151.8
[M-H]- 211.07243 143.3
[M+NH4]+ 230.11353 159.0
[M+K]+ 251.04287 150.1
[M+H-H2O]+ 195.07697 136.1
[M+HCOO]- 257.07791 164.4
[M+CH3COO]- 271.09356 181.3
[M+Na-2H]- 233.05438 149.5
[M]+ 212.07916 146.6
[M]- 212.08026 146.6
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.