CID 16227554

1803591-80-1

Structural Information

Molecular Formula

C₇H₁₂N₄

SMILES

C1CC2=NN=C(N2C1)CCN

InChI

InChI=1S/C7H12N4/c8-4-3-7-10-9-6-2-1-5-11(6)7/h1-5,8H2

InChIKey

GESFEOZCDXMGFO-UHFFFAOYSA-N

Compound name

2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 152.1062 Da
Monoisotopic Mass: -0.9
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]+	153.11348	131.2
[M+Na]+	175.09542	140.6
[M+NH4]+	170.14002	139.2
[M+K]+	191.06936	139.1
[M-H]-	151.09892	131.3
[M+Na-2H]-	173.08087	135.0
[M]+	152.10565	132.2
[M]-	152.10675	132.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.