CID 140211

17267-51-5

Structural Information

Molecular Formula

C₃H₇N₅

SMILES

CNC1=NN=NN1C

InChI

InChI=1S/C3H7N5/c1-4-3-5-6-7-8(3)2/h1-2H3,(H,4,5,7)

InChIKey

FBRRQXJRKCVETE-UHFFFAOYSA-N

Compound name

N,1-dimethyltetrazol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 75
Patents: 113.070145 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]+	114.07742	120.5
[M+Na]+	136.05936	130.6
[M-H]-	112.06287	119.4
[M+NH4]+	131.10397	139.5
[M+K]+	152.03330	129.9
[M+H-H2O]+	96.067405	112.2
[M+HCOO]-	158.06835	143.4
[M+CH3COO]-	172.08400	170.6
[M+Na-2H]-	134.04481	128.9
[M]+	113.06960	120.6
[M]-	113.07069	120.6

Literature stripe

literature stripe

Patent stripe

patents stripe