CID 82026960

2-(1-methyl-1h-pyrazol-5-yl)propan-2-amine dihydrochloride

Structural Information

Molecular Formula

C₇H₁₃N₃

SMILES

CC(C)(C1=CC=NN1C)N

InChI

InChI=1S/C7H13N3/c1-7(2,8)6-4-5-9-10(6)3/h4-5H,8H2,1-3H3

InChIKey

VLMKOOUBMWYKED-UHFFFAOYSA-N

Compound name

2-(2-methylpyrazol-3-yl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 139.11095 Da
Monoisotopic Mass: -0.3
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	130.4
[M+Na]+	162.10017	139.2
[M-H]-	138.10367	131.4
[M+NH4]+	157.14477	151.1
[M+K]+	178.07411	137.9
[M+H-H2O]+	122.10821	124.0
[M+HCOO]-	184.10915	152.6
[M+CH3COO]-	198.12480	176.3
[M+Na-2H]-	160.08562	136.6
[M]+	139.11040	129.4
[M]-	139.11150	129.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe