CID 223442

6280-28-0

Structural Information

Molecular Formula

C₄H₈N₄

SMILES

CC(C)C1=NNN=N1

InChI

InChI=1S/C4H8N4/c1-3(2)4-5-7-8-6-4/h3H,1-2H3,(H,5,6,7,8)

InChIKey

RFFXUEDBNNOGDO-UHFFFAOYSA-N

Compound name

5-propan-2-yl-2H-tetrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 844
Patents: 112.0749 Da
Monoisotopic Mass: 0.6
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]+	113.08218	121.8
[M+Na]+	135.06412	132.8
[M+NH4]+	130.10872	128.6
[M+K]+	151.03806	130.3
[M-H]-	111.06762	120.1
[M+Na-2H]-	133.04957	127.1
[M]+	112.07435	122.5
[M]-	112.07545	122.5

Literature stripe

literature stripe

Patent stripe

patents stripe