CID 11170975

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

Structural Information

Molecular Formula

C₅H₁₀N₄

SMILES

CC(C)(C)C1=NNN=N1

InChI

InChI=1S/C5H10N4/c1-5(2,3)4-6-8-9-7-4/h1-3H3,(H,6,7,8,9)

InChIKey

ZEKBKTMMBLWNGK-UHFFFAOYSA-N

Compound name

5-tert-butyl-2H-tetrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1166
Patents: 126.090546 Da
Monoisotopic Mass: 1.2
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]+	127.097822	128.3
[M+Na]+	149.079764	137.5
[M-H]-	125.083270	125.5
[M+NH4]+	144.124369	146.4
[M+K]+	165.053704	136.1
[M+H-H2O]+	109.087806	120.8
[M+HCOO]-	171.088747	146.4
[M+CH3COO]-	185.104397	167.7
[M+Na-2H]-	147.065212	135.9
[M]+	126.08999742	127.0
[M]-	126.09109458	127.0

Literature stripe

literature stripe

Patent stripe

patents stripe