CID 3070081

85697-02-5

Structural Information

Molecular Formula

C₇H₁₃N₅OS

SMILES

CCN1C(=NN=N1)CSCCC(=O)N

InChI

InChI=1S/C7H13N5OS/c1-2-12-7(9-10-11-12)5-14-4-3-6(8)13/h2-5H2,1H3,(H2,8,13)

InChIKey

DLILMAIALIVQNX-UHFFFAOYSA-N

Compound name

3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 215.08408 Da
Monoisotopic Mass: -0.8
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]+	216.09136	147.5
[M+Na]+	238.07330	156.3
[M+NH4]+	233.11790	152.9
[M+K]+	254.04724	152.0
[M-H]-	214.07680	145.9
[M+Na-2H]-	236.05875	150.0
[M]+	215.08353	148.2
[M]-	215.08463	148.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe