CID 71651175

1229516-67-9

Structural Information

Molecular Formula

C₁₃H₂₂N₄O₃

SMILES

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

InChI

InChI=1S/C13H22N4O3/c1-13(2,3)20-12(19)16-6-4-11(5-7-16)17-8-10(9-18)14-15-17/h8,11,18H,4-7,9H2,1-3H3

InChIKey

DIDNNROJDFHIMV-UHFFFAOYSA-N

Compound name

tert-butyl 4-[4-(hydroxymethyl)triazol-1-yl]piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 282.1692 Da
Monoisotopic Mass: 0.2
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]+	283.176476	169.4
[M+Na]+	305.158418	175.0
[M-H]-	281.161924	169.1
[M+NH4]+	300.203023	180.9
[M+K]+	321.132358	172.8
[M+H-H2O]+	265.166460	160.3
[M+HCOO]-	327.167401	181.9
[M+CH3COO]-	341.183051	195.5
[M+Na-2H]-	303.143866	170.1
[M]+	282.16865142	167.8
[M]-	282.16974858	167.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.