CID 165743035

2803862-46-4

Structural Information

Molecular Formula

C₁₁H₁₆N₄O₃

SMILES

CC(C)(C)OC(=O)N1CC2=C(C(=O)C1)N=NN2C

InChI

InChI=1S/C11H16N4O3/c1-11(2,3)18-10(17)15-5-7-9(8(16)6-15)12-13-14(7)4/h5-6H2,1-4H3

InChIKey

NQWDTFRIAOKMFX-UHFFFAOYSA-N

Compound name

tert-butyl 3-methyl-7-oxo-4,6-dihydrotriazolo[4,5-c]pyridine-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 252.12224 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]+	253.129516	160.0
[M+Na]+	275.111458	169.3
[M-H]-	251.114964	159.7
[M+NH4]+	270.156063	175.1
[M+K]+	291.085398	167.6
[M+H-H2O]+	235.119500	152.4
[M+HCOO]-	297.120441	174.7
[M+CH3COO]-	311.136091	193.8
[M+Na-2H]-	273.096906	163.1
[M]+	252.12169142	162.1
[M]-	252.12278858	162.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.