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

2
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

patents stripe