CID 91662912

1803562-70-0

Structural Information

Molecular Formula

C₁₀H₁₆N₄O₃

SMILES

CC(C)(C)OC(=O)C1CN2C(=NNC2=O)CN1

InChI

InChI=1S/C10H16N4O3/c1-10(2,3)17-8(15)6-5-14-7(4-11-6)12-13-9(14)16/h6,11H,4-5H2,1-3H3,(H,13,16)

InChIKey

JJLUTYMMLXORPG-UHFFFAOYSA-N

Compound name

tert-butyl 3-oxo-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 240.12224 Da
Monoisotopic Mass: -0.3
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]+	241.129516	157.2
[M+Na]+	263.111458	165.0
[M-H]-	239.114964	153.8
[M+NH4]+	258.156063	171.0
[M+K]+	279.085398	161.9
[M+H-H2O]+	223.119500	149.9
[M+HCOO]-	285.120441	169.2
[M+CH3COO]-	299.136091	185.5
[M+Na-2H]-	261.096906	160.5
[M]+	240.12169142	154.9
[M]-	240.12278858	154.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.