CID 17900593

1-(1h-1,2,4-triazol-3-yl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula

C₄H₈N₄

SMILES

CC(C1=NC=NN1)N

InChI

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

InChIKey

IMLWJUNNDJGOPB-UHFFFAOYSA-N

Compound name

1-(1H-1,2,4-triazol-5-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 59
Patents: 112.0749 Da
Monoisotopic Mass: -0.7
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	121.6
[M+Na]+	135.06412	129.6
[M-H]-	111.06762	119.7
[M+NH4]+	130.10872	140.8
[M+K]+	151.03806	128.1
[M+H-H2O]+	95.072160	114.1
[M+HCOO]-	157.07310	142.5
[M+CH3COO]-	171.08875	167.0
[M+Na-2H]-	133.04957	127.6
[M]+	112.07435	117.7
[M]-	112.07545	117.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe