CID 57786813

1174069-03-4

Structural Information

Molecular Formula

C₁₁H₁₆N₄O₃

SMILES

CC(C)(C)OC(=O)N1CCN2C(=NN=C2C=O)C1

InChI

InChI=1S/C11H16N4O3/c1-11(2,3)18-10(17)14-4-5-15-8(6-14)12-13-9(15)7-16/h7H,4-6H2,1-3H3

InChIKey

SURBHXJZUCWWOG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 252.12224 Da
Monoisotopic Mass: -0.4
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	168.3
[M-H]-	251.114964	159.2
[M+NH4]+	270.156063	174.7
[M+K]+	291.085398	166.6
[M+H-H2O]+	235.119500	151.9
[M+HCOO]-	297.120441	174.6
[M+CH3COO]-	311.136091	192.6
[M+Na-2H]-	273.096906	163.8
[M]+	252.12169142	161.6
[M]-	252.12278858	161.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe