CID 3062261

80472-86-2

Structural Information

Molecular Formula

C₁₀H₁₉N₅OS

SMILES

CCN(CC)C(=O)CCSCC1=NN=NN1C

InChI

InChI=1S/C10H19N5OS/c1-4-15(5-2)10(16)6-7-17-8-9-11-12-13-14(9)3/h4-8H2,1-3H3

InChIKey

IROUFHSMZGTKRE-UHFFFAOYSA-N

Compound name

N,N-diethyl-3-[(1-methyltetrazol-5-yl)methylsulfanyl]propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 257.13104 Da
Monoisotopic Mass: 0.2
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]+	258.13832	160.2
[M+Na]+	280.12026	168.9
[M+NH4]+	275.16486	165.6
[M+K]+	296.09420	164.2
[M-H]-	256.12376	159.1
[M+Na-2H]-	278.10571	162.8
[M]+	257.13049	161.2
[M]-	257.13159	161.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe