CID 13469826

97421-16-4

Structural Information

Molecular Formula

C₆H₁₁N₃

SMILES

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

InChI

InChI=1S/C6H11N3/c1-5(2)9-4-6(7)3-8-9/h3-5H,7H2,1-2H3

InChIKey

OEXNVHXUPNHOPP-UHFFFAOYSA-N

Compound name

1-propan-2-ylpyrazol-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 488
Patents: 125.0953 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]+	126.102576	125.6
[M+Na]+	148.084518	134.1
[M-H]-	124.088024	126.6
[M+NH4]+	143.129123	146.7
[M+K]+	164.058458	133.1
[M+H-H2O]+	108.092560	118.8
[M+HCOO]-	170.093501	148.7
[M+CH3COO]-	184.109151	173.8
[M+Na-2H]-	146.069966	130.4
[M]+	125.09475142	124.2
[M]-	125.09584858	124.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe