CID 14872468

129027-65-2

Structural Information

Molecular Formula

C₇H₁₁N₃O

SMILES

CC(C)(C)N1C=C(N=N1)C=O

InChI

InChI=1S/C7H11N3O/c1-7(2,3)10-4-6(5-11)8-9-10/h4-5H,1-3H3

InChIKey

UMAJZZHMXMIDID-UHFFFAOYSA-N

Compound name

1-tert-butyltriazole-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 153.09021 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]+	154.09749	132.8
[M+Na]+	176.07943	144.1
[M+NH4]+	171.12403	139.5
[M+K]+	192.05337	141.4
[M-H]-	152.08293	131.4
[M+Na-2H]-	174.06488	137.9
[M]+	153.08966	133.8
[M]-	153.09076	133.8

Literature stripe

literature stripe

Patent stripe

patents stripe