CID 13469817

1-(tert-butyl)-1h-pyrazol-4-amine

Structural Information

Molecular Formula

C₇H₁₃N₃

SMILES

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

InChI

InChI=1S/C7H13N3/c1-7(2,3)10-5-6(8)4-9-10/h4-5H,8H2,1-3H3

InChIKey

JPUFJDDEDJUDHE-UHFFFAOYSA-N

Compound name

1-tert-butylpyrazol-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 184
Patents: 139.11095 Da
Monoisotopic Mass: 0.4
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]+	140.11823	130.7
[M+Na]+	162.10017	139.5
[M-H]-	138.10367	131.8
[M+NH4]+	157.14477	151.5
[M+K]+	178.07411	138.2
[M+H-H2O]+	122.10821	124.4
[M+HCOO]-	184.10915	152.9
[M+CH3COO]-	198.12480	175.6
[M+Na-2H]-	160.08562	136.8
[M]+	139.11040	129.6
[M]-	139.11150	129.6

Literature stripe

literature stripe

Patent stripe

patents stripe