CID 138492

5422-44-6

Structural Information

Molecular Formula

C₂H₅N₅

SMILES

CN1C(=NN=N1)N

InChI

InChI=1S/C2H5N5/c1-7-2(3)4-5-6-7/h1H3,(H2,3,4,6)

InChIKey

GTKOKCQMHAGFSM-UHFFFAOYSA-N

Compound name

1-methyltetrazol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1029
Patents: 99.0545 Da
Monoisotopic Mass: -0.8
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]+	100.06178	115.5
[M+Na]+	122.04372	126.6
[M+NH4]+	117.08832	122.4
[M+K]+	138.01766	124.4
[M-H]-	98.047224	114.8
[M+Na-2H]-	120.02917	121.3
[M]+	99.053951	116.5
[M]-	99.055049	116.5

Literature stripe

literature stripe

Patent stripe

patents stripe