CID 18330009

2344685-42-1

Structural Information

Molecular Formula

C₄H₈N₄

SMILES

CC(C1=NNN=C1)N

InChI

InChI=1S/C4H8N4/c1-3(5)4-2-6-8-7-4/h2-3H,5H2,1H3,(H,6,7,8)

InChIKey

RRFCOCQEYKSGKE-UHFFFAOYSA-N

Compound name

1-(2H-triazol-4-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 112.0749 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]+	113.08218	120.8
[M+Na]+	135.06412	130.5
[M+NH4]+	130.10872	127.8
[M+K]+	151.03806	128.4
[M-H]-	111.06762	120.1
[M+Na-2H]-	133.04957	125.8
[M]+	112.07435	121.5
[M]-	112.07545	121.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe