CID 117521

4-methoxybenzyloxycarbonyl azide

Structural Information

Molecular Formula

C₉H₉N₃O₃

SMILES

COC1=CC=C(C=C1)COC(=O)N=[N+]=[N-]

InChI

InChI=1S/C9H9N3O3/c1-14-8-4-2-7(3-5-8)6-15-9(13)11-12-10/h2-5H,6H2,1H3

InChIKey

NQBRFIXRZDTIRQ-UHFFFAOYSA-N

Compound name

(4-methoxyphenyl)methyl N-diazocarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 168
Patents: 207.06439 Da
Monoisotopic Mass: 2.9
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]+	208.07167	142.3
[M+Na]+	230.05361	154.4
[M+NH4]+	225.09821	149.9
[M+K]+	246.02755	150.4
[M-H]-	206.05711	146.7
[M+Na-2H]-	228.03906	149.4
[M]+	207.06384	144.9
[M]-	207.06494	144.9

Literature stripe

literature stripe

Patent stripe

patents stripe