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]+	258.138316	159.3
[M+Na]+	280.120258	167.0
[M-H]-	256.123764	159.2
[M+NH4]+	275.164863	173.9
[M+K]+	296.094198	165.4
[M+H-H2O]+	240.128300	150.3
[M+HCOO]-	302.129241	174.8
[M+CH3COO]-	316.144891	199.9
[M+Na-2H]-	278.105706	159.0
[M]+	257.13049142	165.4
[M]-	257.13158858	165.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe