CID 119030262

N-methyl-1-propyl-1h-pyrazol-4-amine dihydrochloride

Structural Information

Molecular Formula

C₇H₁₃N₃

SMILES

CCCN1C=C(C=N1)NC

InChI

InChI=1S/C7H13N3/c1-3-4-10-6-7(8-2)5-9-10/h5-6,8H,3-4H2,1-2H3

InChIKey

DRFMCJYFTZIZCG-UHFFFAOYSA-N

Compound name

N-methyl-1-propylpyrazol-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 139.11095 Da
Monoisotopic Mass: 1.0
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]+	140.11823	129.5
[M+Na]+	162.10017	140.4
[M+NH4]+	157.14477	137.5
[M+K]+	178.07411	136.2
[M-H]-	138.10367	130.5
[M+Na-2H]-	160.08562	135.4
[M]+	139.11040	131.1
[M]-	139.11150	131.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe