CID 14517670

6-chloro-n-propylpyridazin-3-amine

Structural Information

Molecular Formula

C₇H₁₀ClN₃

SMILES

CCCNC1=NN=C(C=C1)Cl

InChI

InChI=1S/C7H10ClN3/c1-2-5-9-7-4-3-6(8)10-11-7/h3-4H,2,5H2,1H3,(H,9,11)

InChIKey

QXJWIXPQOHPVFC-UHFFFAOYSA-N

Compound name

6-chloro-N-propylpyridazin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 171.05632 Da
Monoisotopic Mass: 2.0
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]+	172.063596	133.6
[M+Na]+	194.045538	142.7
[M-H]-	170.049044	134.4
[M+NH4]+	189.090143	152.1
[M+K]+	210.019478	139.0
[M+H-H2O]+	154.053580	126.8
[M+HCOO]-	216.054521	152.5
[M+CH3COO]-	230.070171	180.4
[M+Na-2H]-	192.030986	142.1
[M]+	171.05577142	135.2
[M]-	171.05686858	135.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe