CID 43560501

1154383-91-1

Structural Information

Molecular Formula

C₅H₈N₄

SMILES

C1CC1CC2=NNN=N2

InChI

InChI=1S/C5H8N4/c1-2-4(1)3-5-6-8-9-7-5/h4H,1-3H2,(H,6,7,8,9)

InChIKey

DKBSTNARGKVRBG-UHFFFAOYSA-N

Compound name

5-(cyclopropylmethyl)-2H-tetrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 124.0749 Da
Monoisotopic Mass: 0.9
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]+	125.082176	135.1
[M+Na]+	147.064118	145.8
[M-H]-	123.067624	135.9
[M+NH4]+	142.108723	148.0
[M+K]+	163.038058	141.8
[M+H-H2O]+	107.072160	126.0
[M+HCOO]-	169.073101	155.3
[M+CH3COO]-	183.088751	147.1
[M+Na-2H]-	145.049566	141.4
[M]+	124.07435142	135.1
[M]-	124.07544858	135.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe