CID 16227468

3-(aminomethyl)-6,7-dihydro-5h-pyrrolo[2,1-c][1,2,4]triazole

Structural Information

Molecular Formula

C₆H₁₀N₄

SMILES

C1CC2=NN=C(N2C1)CN

InChI

InChI=1S/C6H10N4/c7-4-6-9-8-5-2-1-3-10(5)6/h1-4,7H2

InChIKey

URJJLLGHIBAONS-UHFFFAOYSA-N

Compound name

6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 138.09055 Da
Monoisotopic Mass: -1.3
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]+	139.09783	126.9
[M+Na]+	161.07977	135.9
[M-H]-	137.08327	127.4
[M+NH4]+	156.12437	148.8
[M+K]+	177.05371	134.4
[M+H-H2O]+	121.08781	119.3
[M+HCOO]-	183.08875	149.0
[M+CH3COO]-	197.10440	140.4
[M+Na-2H]-	159.06522	132.2
[M]+	138.09000	125.0
[M]-	138.09110	125.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe