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

13
Patents

284.1736 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.180876 167.6
[M+Na]+ 307.162818 173.0
[M-H]- 283.166324 168.1
[M+NH4]+ 302.207423 181.2
[M+K]+ 323.136758 173.1
[M+H-H2O]+ 267.170860 161.0
[M+HCOO]- 329.171801 181.3
[M+CH3COO]- 343.187451 198.6
[M+Na-2H]- 305.148266 170.5
[M]+ 284.17305142 169.7
[M]- 284.17414858 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