CID 98362

14339-24-3

Structural Information

Molecular Formula

C₉H₁₈N₂

SMILES

CCCC1C(C=NN1C)CC

InChI

InChI=1S/C9H18N2/c1-4-6-9-8(5-2)7-10-11(9)3/h7-9H,4-6H2,1-3H3

InChIKey

XTPXCQGGKOLTOG-UHFFFAOYSA-N

Compound name

4-ethyl-2-methyl-3-propyl-3,4-dihydropyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 154.147 Da
Monoisotopic Mass: 2.2
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]+	155.15428	136.0
[M+Na]+	177.13622	144.2
[M-H]-	153.13972	136.8
[M+NH4]+	172.18082	156.8
[M+K]+	193.11016	142.8
[M+H-H2O]+	137.14426	129.2
[M+HCOO]-	199.14520	157.2
[M+CH3COO]-	213.16085	179.5
[M+Na-2H]-	175.12167	139.3
[M]+	154.14645	136.9
[M]-	154.14755	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe