CID 135704509

1208673-90-8

Structural Information

Molecular Formula

C₅H₈N₄

SMILES

C1CNC2=NC=NN2C1

InChI

InChI=1S/C5H8N4/c1-2-6-5-7-4-8-9(5)3-1/h4H,1-3H2,(H,6,7,8)

InChIKey

MRACRRVWXDRQCD-UHFFFAOYSA-N

Compound name

4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 124.0749 Da
Monoisotopic Mass: 0.4
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]+	125.08218	124.5
[M+Na]+	147.06412	132.6
[M-H]-	123.06762	121.8
[M+NH4]+	142.10872	143.1
[M+K]+	163.03806	130.3
[M+H-H2O]+	107.07216	116.1
[M+HCOO]-	169.07310	141.3
[M+CH3COO]-	183.08875	136.6
[M+Na-2H]-	145.04957	132.4
[M]+	124.07435	119.8
[M]-	124.07545	119.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe