CID 43540488

Benzyl n-(1h-pyrazol-4-yl)carbamate

Structural Information

Molecular Formula

C₁₁H₁₁N₃O₂

SMILES

C1=CC=C(C=C1)COC(=O)NC2=CNN=C2

InChI

InChI=1S/C11H11N3O2/c15-11(14-10-6-12-13-7-10)16-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13)(H,14,15)

InChIKey

HOYQHOBEVBNOHC-UHFFFAOYSA-N

Compound name

benzyl N-(1H-pyrazol-4-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 217.08513 Da
Monoisotopic Mass: 1.5
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]+	218.092406	145.9
[M+Na]+	240.074348	152.3
[M-H]-	216.077854	148.6
[M+NH4]+	235.118953	161.9
[M+K]+	256.048288	149.1
[M+H-H2O]+	200.082390	137.2
[M+HCOO]-	262.083331	168.6
[M+CH3COO]-	276.098981	183.4
[M+Na-2H]-	238.059796	151.9
[M]+	217.08458142	144.4
[M]-	217.08567858	144.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe