CID 140124

2-methyl-2h-tetrazole

Structural Information

Molecular Formula

C₂H₄N₄

SMILES

CN1N=CN=N1

InChI

InChI=1S/C2H4N4/c1-6-4-2-3-5-6/h2H,1H3

InChIKey

VRESBNUEIKZECD-UHFFFAOYSA-N

Compound name

2-methyltetrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2193
Patents: 84.043594 Da
Monoisotopic Mass: 0.1
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]+	85.050870	111.8
[M+Na]+	107.03281	122.2
[M-H]-	83.036318	110.4
[M+NH4]+	102.07742	132.0
[M+K]+	123.00675	122.2
[M+H-H2O]+	67.040854	103.9
[M+HCOO]-	129.04180	134.0
[M+CH3COO]-	143.05744	161.9
[M+Na-2H]-	105.01826	121.0
[M]+	84.043045	111.9
[M]-	84.044143	111.9

Literature stripe

literature stripe

Patent stripe

patents stripe