CID 10997805

160698-31-7

Structural Information

Molecular Formula

C₉H₁₀N₄O

SMILES

COC1=CC=C(C=C1)CN2C=NN=N2

InChI

InChI=1S/C9H10N4O/c1-14-9-4-2-8(3-5-9)6-13-7-10-11-12-13/h2-5,7H,6H2,1H3

InChIKey

ODJQFWLXWRQLSQ-UHFFFAOYSA-N

Compound name

1-[(4-methoxyphenyl)methyl]tetrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 81
Patents: 190.08546 Da
Monoisotopic Mass: 1.3
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]+	191.09274	140.0
[M+Na]+	213.07468	153.9
[M+NH4]+	208.11928	147.2
[M+K]+	229.04862	149.4
[M-H]-	189.07818	141.4
[M+Na-2H]-	211.06013	148.6
[M]+	190.08491	142.2
[M]-	190.08601	142.2

Literature stripe

literature stripe

Patent stripe

patents stripe