CID 66523304

1334491-51-8

Structural Information

Molecular Formula

C₁₂H₁₈N₄O₄

SMILES

CC(C)(C)OC(=O)N1CCC(C1)N2C=C(N=N2)C(=O)O

InChI

InChI=1S/C12H18N4O4/c1-12(2,3)20-11(19)15-5-4-8(6-15)16-7-9(10(17)18)13-14-16/h7-8H,4-6H2,1-3H3,(H,17,18)

InChIKey

HBYHXFNYEOYAPX-UHFFFAOYSA-N

Compound name

1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]triazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 282.1328 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]+	283.140076	165.2
[M+Na]+	305.122018	171.7
[M-H]-	281.125524	166.1
[M+NH4]+	300.166623	178.4
[M+K]+	321.095958	170.9
[M+H-H2O]+	265.130060	157.2
[M+HCOO]-	327.131001	179.8
[M+CH3COO]-	341.146651	194.6
[M+Na-2H]-	303.107466	164.2
[M]+	282.13225142	165.6
[M]-	282.13334858	165.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.