CID 19619842

1431964-91-8

Structural Information

Molecular Formula

C₆H₁₀ClN₃

SMILES

CC(C)N1C=C(C(=N1)N)Cl

InChI

InChI=1S/C6H10ClN3/c1-4(2)10-3-5(7)6(8)9-10/h3-4H,1-2H3,(H2,8,9)

InChIKey

UDMUABAUCMUCDL-UHFFFAOYSA-N

Compound name

4-chloro-1-propan-2-ylpyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 159.05632 Da
Monoisotopic Mass: 1.2
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]+	160.063596	132.2
[M+Na]+	182.045538	142.3
[M-H]-	158.049044	133.2
[M+NH4]+	177.090143	153.0
[M+K]+	198.019478	139.2
[M+H-H2O]+	142.053580	126.0
[M+HCOO]-	204.054521	150.5
[M+CH3COO]-	218.070171	178.8
[M+Na-2H]-	180.030986	135.6
[M]+	159.05577142	132.8
[M]-	159.05686858	132.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe