CID 136227103

6-tert-butyl-1h,2h,3h-pyrazolo[1,5-a]imidazole

Structural Information

Molecular Formula

C₉H₁₅N₃

SMILES

CC(C)(C)C1=NN2CCNC2=C1

InChI

InChI=1S/C9H15N3/c1-9(2,3)7-6-8-10-4-5-12(8)11-7/h6,10H,4-5H2,1-3H3

InChIKey

KHPTWXPXBARANF-UHFFFAOYSA-N

Compound name

6-tert-butyl-2,3-dihydro-1H-imidazo[1,2-b]pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 165.1266 Da
Monoisotopic Mass: 2.0
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]+	166.13388	140.3
[M+Na]+	188.11582	149.0
[M-H]-	164.11932	139.8
[M+NH4]+	183.16042	161.2
[M+K]+	204.08976	146.6
[M+H-H2O]+	148.12386	133.7
[M+HCOO]-	210.12480	157.8
[M+CH3COO]-	224.14045	176.0
[M+Na-2H]-	186.10127	144.5
[M]+	165.12605	138.6
[M]-	165.12715	138.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe