CID 78825

1,5-dimethyltetrazole

Structural Information

Molecular Formula

C₃H₆N₄

SMILES

CC1=NN=NN1C

InChI

InChI=1S/C3H6N4/c1-3-4-5-6-7(3)2/h1-2H3

InChIKey

HWHNFJYQDMSYAF-UHFFFAOYSA-N

Compound name

1,5-dimethyltetrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1636
Patents: 98.05925 Da
Monoisotopic Mass: 0.0
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]+	99.066526	116.4
[M+Na]+	121.048468	127.4
[M-H]-	97.051974	115.2
[M+NH4]+	116.093073	136.4
[M+K]+	137.022408	127.0
[M+H-H2O]+	81.056510	108.6
[M+HCOO]-	143.057451	138.3
[M+CH3COO]-	157.073101	165.9
[M+Na-2H]-	119.033916	124.3
[M]+	98.05870142	117.2
[M]-	98.05979858	117.2

Literature stripe

literature stripe

Patent stripe

patents stripe