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]+ 185.128466 143.5
[M+Na]+ 207.110408 149.1
[M-H]- 183.113914 142.4
[M+NH4]+ 202.155013 160.0
[M+K]+ 223.084348 147.9
[M+H-H2O]+ 167.118450 136.9
[M+HCOO]- 229.119391 159.1
[M+CH3COO]- 243.135041 177.1
[M+Na-2H]- 205.095856 148.7
[M]+ 184.12064142 140.5
[M]- 184.12173858 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.