CID 22265684

126748-58-1

Structural Information

Molecular Formula

C₆H₁₁N₃

SMILES

CCCC1=CC(=NN1)N

InChI

InChI=1S/C6H11N3/c1-2-3-5-4-6(7)9-8-5/h4H,2-3H2,1H3,(H3,7,8,9)

InChIKey

SNRYBQUHJRIMJO-UHFFFAOYSA-N

Compound name

5-propyl-1H-pyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 74
Patents: 125.0953 Da
Monoisotopic Mass: 1.1
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]+	126.10258	125.6
[M+Na]+	148.08452	133.9
[M-H]-	124.08802	125.0
[M+NH4]+	143.12912	146.0
[M+K]+	164.05846	131.6
[M+H-H2O]+	108.09256	118.9
[M+HCOO]-	170.09350	148.2
[M+CH3COO]-	184.10915	170.4
[M+Na-2H]-	146.06997	131.2
[M]+	125.09475	122.9
[M]-	125.09585	122.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe