CID 82662510

1529558-99-3

Structural Information

Molecular Formula

C₁₀H₁₅N₃O₃

SMILES

CC(C)(C)OC(=O)NC1=NN(C(=C1)C=O)C

InChI

InChI=1S/C10H15N3O3/c1-10(2,3)16-9(15)11-8-5-7(6-14)13(4)12-8/h5-6H,1-4H3,(H,11,12,15)

InChIKey

BPOYRBJQERKMKK-UHFFFAOYSA-N

Compound name

tert-butyl N-(5-formyl-1-methylpyrazol-3-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 225.11134 Da
Monoisotopic Mass: 0.9
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]+	226.11862	150.7
[M+Na]+	248.10056	159.3
[M+NH4]+	243.14516	155.6
[M+K]+	264.07450	158.2
[M-H]-	224.10406	148.8
[M+Na-2H]-	246.08601	153.5
[M]+	225.11079	150.9
[M]-	225.11189	150.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe