CID 34176341

2551120-25-1

Structural Information

Molecular Formula

C₈H₁₂N₄

SMILES

C1CC1C2=NN=C3N2CCNC3

InChI

InChI=1S/C8H12N4/c1-2-6(1)8-11-10-7-5-9-3-4-12(7)8/h6,9H,1-5H2

InChIKey

XVXXWVBIKKLTRG-UHFFFAOYSA-N

Compound name

3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 164.1062 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]+	165.11348	139.5
[M+Na]+	187.09542	152.5
[M+NH4]+	182.14002	148.1
[M+K]+	203.06936	149.4
[M-H]-	163.09892	147.2
[M+Na-2H]-	185.08087	147.1
[M]+	164.10565	144.4
[M]-	164.10675	144.4

Literature stripe

literature stripe

Patent stripe

patents stripe