CID 122163301

1989659-06-4

Structural Information

Molecular Formula

C₁₀H₁₆N₄O₂

SMILES

CC(C)(C)OC(=O)C1CN2C=NN=C2CN1

InChI

InChI=1S/C10H16N4O2/c1-10(2,3)16-9(15)7-5-14-6-12-13-8(14)4-11-7/h6-7,11H,4-5H2,1-3H3

InChIKey

GGKBKNTXWMASNL-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 224.12732 Da
Monoisotopic Mass: -0.5
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]+	225.134596	154.3
[M+Na]+	247.116538	161.5
[M-H]-	223.120044	151.9
[M+NH4]+	242.161143	169.3
[M+K]+	263.090478	159.3
[M+H-H2O]+	207.124580	146.3
[M+HCOO]-	269.125521	167.4
[M+CH3COO]-	283.141171	185.3
[M+Na-2H]-	245.101986	158.7
[M]+	224.12677142	152.7
[M]-	224.12786858	152.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.