CID 3022107

Sr 41254

Structural Information

Molecular Formula
C14H14ClN3O
SMILES
C1CN(CC1O)C2=NN=C(C=C2)C3=CC=CC=C3Cl
InChI
InChI=1S/C14H14ClN3O/c15-12-4-2-1-3-11(12)13-5-6-14(17-16-13)18-8-7-10(19)9-18/h1-6,10,19H,7-9H2
InChIKey
MZOCABWMUGOCBO-UHFFFAOYSA-N
Compound name
1-[6-(2-chlorophenyl)pyridazin-3-yl]pyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

275.08255 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.08983 161.7
[M+Na]+ 298.07177 170.5
[M-H]- 274.07527 166.0
[M+NH4]+ 293.11637 175.4
[M+K]+ 314.04571 164.0
[M+H-H2O]+ 258.07981 151.9
[M+HCOO]- 320.08075 175.2
[M+CH3COO]- 334.09640 172.5
[M+Na-2H]- 296.05722 164.0
[M]+ 275.08200 160.3
[M]- 275.08310 160.3
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

No patent data available for this compound.