CID 47003356

4-(boc-aminomethyl)pyrazole

Structural Information

Molecular Formula

C₉H₁₅N₃O₂

SMILES

CC(C)(C)OC(=O)NCC1=CNN=C1

InChI

InChI=1S/C9H15N3O2/c1-9(2,3)14-8(13)10-4-7-5-11-12-6-7/h5-6H,4H2,1-3H3,(H,10,13)(H,11,12)

InChIKey

QHQQGFZVUMTRDH-UHFFFAOYSA-N

Compound name

tert-butyl N-(1H-pyrazol-4-ylmethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 111
Patents: 197.11642 Da
Monoisotopic Mass: 0.7
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]+	198.12370	144.6
[M+Na]+	220.10564	152.6
[M+NH4]+	215.15024	150.2
[M+K]+	236.07958	151.2
[M-H]-	196.10914	142.9
[M+Na-2H]-	218.09109	148.2
[M]+	197.11587	144.8
[M]-	197.11697	144.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe