CID 3070083

85697-11-6

Structural Information

Molecular Formula

C₁₀H₁₉N₅OS

SMILES

CCNC(=O)CCCSCC1=NN=NN1CC

InChI

InChI=1S/C10H19N5OS/c1-3-11-10(16)6-5-7-17-8-9-12-13-14-15(9)4-2/h3-8H2,1-2H3,(H,11,16)

InChIKey

WWUFYMKTLBBINN-UHFFFAOYSA-N

Compound name

N-ethyl-4-[(1-ethyltetrazol-5-yl)methylsulfanyl]butanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 257.13104 Da
Monoisotopic Mass: 0.3
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	159.0
[M+Na]+	280.120258	166.6
[M-H]-	256.123764	157.4
[M+NH4]+	275.164863	173.0
[M+K]+	296.094198	163.6
[M+H-H2O]+	240.128300	150.1
[M+HCOO]-	302.129241	174.1
[M+CH3COO]-	316.144891	196.5
[M+Na-2H]-	278.105706	159.4
[M]+	257.13049142	163.8
[M]-	257.13158858	163.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe