CID 84013756

2-tert-butyl-2h-1,2,3,4-tetrazole-5-carboxylic acid

Structural Information

Molecular Formula

C₆H₁₀N₄O₂

SMILES

CC(C)(C)N1N=C(N=N1)C(=O)O

InChI

InChI=1S/C6H10N4O2/c1-6(2,3)10-8-4(5(11)12)7-9-10/h1-3H3,(H,11,12)

InChIKey

MKXPRLZWGWNEAZ-UHFFFAOYSA-N

Compound name

2-tert-butyltetrazole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 170.08037 Da
Monoisotopic Mass: 0.9
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]+	171.08765	135.8
[M+Na]+	193.06959	145.6
[M+NH4]+	188.11419	140.7
[M+K]+	209.04353	145.2
[M-H]-	169.07309	132.3
[M+Na-2H]-	191.05504	139.3
[M]+	170.07982	135.8
[M]-	170.08092	135.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe