CID 26249067

1221726-04-0

Structural Information

Molecular Formula

C₉H₁₀N₄

SMILES

C1=CC=C(C=C1)C2=NNC(=N2)CN

InChI

InChI=1S/C9H10N4/c10-6-8-11-9(13-12-8)7-4-2-1-3-5-7/h1-5H,6,10H2,(H,11,12,13)

InChIKey

MMMFKWILXVDBHJ-UHFFFAOYSA-N

Compound name

(3-phenyl-1H-1,2,4-triazol-5-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 174.09055 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]+	175.09783	136.4
[M+Na]+	197.07977	148.9
[M+NH4]+	192.12437	144.0
[M+K]+	213.05371	144.6
[M-H]-	173.08327	138.7
[M+Na-2H]-	195.06522	144.6
[M]+	174.09000	138.6
[M]-	174.09110	138.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe