CID 73013691

915370-15-9

Structural Information

Molecular Formula

C₁₃H₂₀N₄O₃

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)N2C=C(N=N2)C=O

InChI

InChI=1S/C13H20N4O3/c1-13(2,3)20-12(19)16-6-4-11(5-7-16)17-8-10(9-18)14-15-17/h8-9,11H,4-7H2,1-3H3

InChIKey

FHKWIQQVFYABSA-UHFFFAOYSA-N

Compound name

tert-butyl 4-(4-formyltriazol-1-yl)piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 280.15353 Da
Monoisotopic Mass: 0.8
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]+	281.160806	167.7
[M+Na]+	303.142748	174.0
[M-H]-	279.146254	168.7
[M+NH4]+	298.187353	179.8
[M+K]+	319.116688	172.1
[M+H-H2O]+	263.150790	158.4
[M+HCOO]-	325.151731	181.8
[M+CH3COO]-	339.167381	197.1
[M+Na-2H]-	301.128196	168.9
[M]+	280.15298142	167.2
[M]-	280.15407858	167.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe