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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	276.089826	161.7
[M+Na]+	298.071768	170.5
[M-H]-	274.075274	166.0
[M+NH4]+	293.116373	175.4
[M+K]+	314.045708	164.0
[M+H-H2O]+	258.079810	151.9
[M+HCOO]-	320.080751	175.2
[M+CH3COO]-	334.096401	172.5
[M+Na-2H]-	296.057216	164.0
[M]+	275.08200142	160.3
[M]-	275.08309858	160.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.