CID 427860

1197157-75-7

Structural Information

Molecular Formula

C₃H₆N₄

SMILES

C1=NNC(=N1)CN

InChI

InChI=1S/C3H6N4/c4-1-3-5-2-6-7-3/h2H,1,4H2,(H,5,6,7)

InChIKey

LEPSDPCROOMBQG-UHFFFAOYSA-N

Compound name

1H-1,2,4-triazol-5-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 380
Patents: 98.05925 Da
Monoisotopic Mass: -1.1
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]+	99.066526	116.3
[M+Na]+	121.048468	125.0
[M-H]-	97.051974	114.4
[M+NH4]+	116.093073	136.0
[M+K]+	137.022408	123.3
[M+H-H2O]+	81.056510	108.9
[M+HCOO]-	143.057451	138.5
[M+CH3COO]-	157.073101	163.1
[M+Na-2H]-	119.033916	124.1
[M]+	98.05870142	112.6
[M]-	98.05979858	112.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe