CID 43381453

1,3-di-tert-butyl-1h-pyrazol-5-amine

Structural Information

Molecular Formula

C₁₁H₂₁N₃

SMILES

CC(C)(C)C1=NN(C(=C1)N)C(C)(C)C

InChI

InChI=1S/C11H21N3/c1-10(2,3)8-7-9(12)14(13-8)11(4,5)6/h7H,12H2,1-6H3

InChIKey

CQCGLMBJVRDWGL-UHFFFAOYSA-N

Compound name

2,5-ditert-butylpyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 195.17355 Da
Monoisotopic Mass: 2.5
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]+	196.18083	149.0
[M+Na]+	218.16277	157.5
[M-H]-	194.16627	150.2
[M+NH4]+	213.20737	168.1
[M+K]+	234.13671	155.7
[M+H-H2O]+	178.17081	143.1
[M+HCOO]-	240.17175	168.2
[M+CH3COO]-	254.18740	188.8
[M+Na-2H]-	216.14822	153.2
[M]+	195.17300	149.2
[M]-	195.17410	149.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe