CID 22639445

1225591-25-2

Structural Information

Molecular Formula

C₄H₈N₄

SMILES

C1=NNN=C1CCN

InChI

InChI=1S/C4H8N4/c5-2-1-4-3-6-8-7-4/h3H,1-2,5H2,(H,6,7,8)

InChIKey

AABPWPFQPIDMQQ-UHFFFAOYSA-N

Compound name

2-(2H-triazol-4-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 190
Patents: 112.0749 Da
Monoisotopic Mass: -1.0
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]+	113.082176	120.8
[M+Na]+	135.064118	129.0
[M-H]-	111.067624	118.6
[M+NH4]+	130.108723	139.9
[M+K]+	151.038058	127.1
[M+H-H2O]+	95.072160	113.1
[M+HCOO]-	157.073101	142.6
[M+CH3COO]-	171.088751	166.1
[M+Na-2H]-	133.049566	128.0
[M]+	112.07435142	117.4
[M]-	112.07544858	117.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe