CID 125424404

2044901-38-2

Structural Information

Molecular Formula
C9H16N2O2
SMILES
CC(C)(C)OC(=O)N1CC=CCN1
InChI
InChI=1S/C9H16N2O2/c1-9(2,3)13-8(12)11-7-5-4-6-10-11/h4-5,10H,6-7H2,1-3H3
InChIKey
JTADKDUYBUICAG-UHFFFAOYSA-N
Compound name
tert-butyl 3,6-dihydro-1H-pyridazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.12119 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.12847 143.5
[M+Na]+ 207.11041 149.1
[M-H]- 183.11391 142.4
[M+NH4]+ 202.15501 160.0
[M+K]+ 223.08435 147.9
[M+H-H2O]+ 167.11845 136.9
[M+HCOO]- 229.11939 159.1
[M+CH3COO]- 243.13504 177.1
[M+Na-2H]- 205.09586 148.7
[M]+ 184.12064 140.5
[M]- 184.12174 140.5
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.