CID 145874677

2375261-53-1

Structural Information

Molecular Formula
C12H15FN2O2
SMILES
CC(C)(C)OC(=O)C1=NN=C(C(=C1)F)C2CC2
InChI
InChI=1S/C12H15FN2O2/c1-12(2,3)17-11(16)9-6-8(13)10(15-14-9)7-4-5-7/h6-7H,4-5H2,1-3H3
InChIKey
LHMGSDWDZKZRJD-UHFFFAOYSA-N
Compound name
tert-butyl 6-cyclopropyl-5-fluoropyridazine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.11176 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.11904 157.4
[M+Na]+ 261.10098 167.7
[M-H]- 237.10448 161.3
[M+NH4]+ 256.14558 168.1
[M+K]+ 277.07492 164.0
[M+H-H2O]+ 221.10902 148.7
[M+HCOO]- 283.10996 176.0
[M+CH3COO]- 297.12561 195.0
[M+Na-2H]- 259.08643 161.5
[M]+ 238.11121 160.8
[M]- 238.11231 160.8
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.