CID 71042775

1596117-29-1

Structural Information

Molecular Formula

C₁₀H₁₁N₅

SMILES

CC1=NN=C(N=N1)C2=CC=C(C=C2)CN

InChI

InChI=1S/C10H11N5/c1-7-12-14-10(15-13-7)9-4-2-8(6-11)3-5-9/h2-5H,6,11H2,1H3

InChIKey

ZWKQKWLZKSZYAT-UHFFFAOYSA-N

Compound name

[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 184
Patents: 201.10144 Da
Monoisotopic Mass: -0.5
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]+	202.10872	143.9
[M+Na]+	224.09066	158.9
[M+NH4]+	219.13526	151.1
[M+K]+	240.06460	152.1
[M-H]-	200.09416	146.8
[M+Na-2H]-	222.07611	153.5
[M]+	201.10089	146.8
[M]-	201.10199	146.8

Literature stripe

literature stripe

Patent stripe

patents stripe