CID 2802164

147849-82-9

Structural Information

Molecular Formula
C8H12N2O
SMILES
CC(C)(C)C1=NNC(=O)C=C1
InChI
InChI=1S/C8H12N2O/c1-8(2,3)6-4-5-7(11)10-9-6/h4-5H,1-3H3,(H,10,11)
InChIKey
TUDXTYPISQDTPK-UHFFFAOYSA-N
Compound name
3-tert-butyl-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

81
Patents

152.09496 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.10224 132.1
[M+Na]+ 175.08418 144.9
[M+NH4]+ 170.12878 139.5
[M+K]+ 191.05812 139.7
[M-H]- 151.08768 132.0
[M+Na-2H]- 173.06963 138.7
[M]+ 152.09441 133.9
[M]- 152.09551 133.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe