CID 13789252

107269-68-1

Structural Information

Molecular Formula

C₃H₇N₅

SMILES

CN1N=C(N=N1)CN

InChI

InChI=1S/C3H7N5/c1-8-6-3(2-4)5-7-8/h2,4H2,1H3

InChIKey

PCJJJCXTAYPBKB-UHFFFAOYSA-N

Compound name

(2-methyltetrazol-5-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 130
Patents: 113.070145 Da
Monoisotopic Mass: -1.0
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]+	114.07742	119.9
[M+Na]+	136.05936	130.8
[M+NH4]+	131.10397	126.7
[M+K]+	152.03330	128.4
[M-H]-	112.06287	119.1
[M+Na-2H]-	134.04481	125.5
[M]+	113.06960	120.9
[M]-	113.07069	120.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe