CID 165944365

2703774-96-1

Structural Information

Molecular Formula

C₁₃H₂₁N₅O₂

SMILES

CC(C)(C)OC(=O)N1CC(C1)C2=NN=C3N2CCNC3

InChI

InChI=1S/C13H21N5O2/c1-13(2,3)20-12(19)17-7-9(8-17)11-16-15-10-6-14-4-5-18(10)11/h9,14H,4-8H2,1-3H3

InChIKey

CNWXDIKQHBFKSK-UHFFFAOYSA-N

Compound name

tert-butyl 3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)azetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 279.16953 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]+	280.176806	170.4
[M+Na]+	302.158748	175.1
[M-H]-	278.162254	169.2
[M+NH4]+	297.203353	175.3
[M+K]+	318.132688	175.2
[M+H-H2O]+	262.166790	155.9
[M+HCOO]-	324.167731	179.3
[M+CH3COO]-	338.183381	199.1
[M+Na-2H]-	300.144196	171.4
[M]+	279.16898142	176.1
[M]-	279.17007858	176.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.