CID 269290

1,2-di-tert-butyl 1,2,3,6-tetrahydropyridazine-1,2-dicarboxylate

Structural Information

Molecular Formula
C14H24N2O4
SMILES
CC(C)(C)OC(=O)N1CC=CCN1C(=O)OC(C)(C)C
InChI
InChI=1S/C14H24N2O4/c1-13(2,3)19-11(17)15-9-7-8-10-16(15)12(18)20-14(4,5)6/h7-8H,9-10H2,1-6H3
InChIKey
ZQCNMSTXSXKVNU-UHFFFAOYSA-N
Compound name
ditert-butyl 3,6-dihydropyridazine-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

284.1736 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.18088 167.6
[M+Na]+ 307.16282 173.0
[M-H]- 283.16632 168.1
[M+NH4]+ 302.20742 181.2
[M+K]+ 323.13676 173.1
[M+H-H2O]+ 267.17086 161.0
[M+HCOO]- 329.17180 181.3
[M+CH3COO]- 343.18745 198.6
[M+Na-2H]- 305.14827 170.5
[M]+ 284.17305 169.7
[M]- 284.17415 169.7
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

patents stripe