CID 67305055

948573-70-4

Structural Information

Molecular Formula

C₉H₁₆N₄O₂

SMILES

CC(C)(C)OC(=O)NC1=CC(=NN1C)N

InChI

InChI=1S/C9H16N4O2/c1-9(2,3)15-8(14)11-7-5-6(10)12-13(7)4/h5H,1-4H3,(H2,10,12)(H,11,14)

InChIKey

PNPKXENLDWDLMP-UHFFFAOYSA-N

Compound name

tert-butyl N-(5-amino-2-methylpyrazol-3-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 212.12732 Da
Monoisotopic Mass: 0.8
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]+	213.13460	147.7
[M+Na]+	235.11654	155.4
[M+NH4]+	230.16114	152.9
[M+K]+	251.09048	154.8
[M-H]-	211.12004	146.7
[M+Na-2H]-	233.10199	150.6
[M]+	212.12677	148.0
[M]-	212.12787	148.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe