CID 3065345

Propionamide, n-(5-butyl-1,3,4-thiadiazol-2-yl)-

Structural Information

Molecular Formula
C9H15N3OS
SMILES
CCCCC1=NN=C(S1)NC(=O)CC
InChI
InChI=1S/C9H15N3OS/c1-3-5-6-8-11-12-9(14-8)10-7(13)4-2/h3-6H2,1-2H3,(H,10,12,13)
InChIKey
YDTBZURELBELNV-UHFFFAOYSA-N
Compound name
N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

213.09358 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.10086 147.5
[M+Na]+ 236.08280 155.4
[M-H]- 212.08630 148.8
[M+NH4]+ 231.12740 166.0
[M+K]+ 252.05674 152.9
[M+H-H2O]+ 196.09084 140.2
[M+HCOO]- 258.09178 165.4
[M+CH3COO]- 272.10743 187.8
[M+Na-2H]- 234.06825 148.4
[M]+ 213.09303 151.1
[M]- 213.09413 151.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.