CID 213280

N-(5-isopropyl-1,3,4-thiadiazol-2-yl)propionamide

Structural Information

Molecular Formula
C8H13N3OS
SMILES
CCC(=O)NC1=NN=C(S1)C(C)C
InChI
InChI=1S/C8H13N3OS/c1-4-6(12)9-8-11-10-7(13-8)5(2)3/h5H,4H2,1-3H3,(H,9,11,12)
InChIKey
VLWNRNXRJLHACK-UHFFFAOYSA-N
Compound name
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

199.07793 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.08521 143.7
[M+Na]+ 222.06715 151.7
[M-H]- 198.07065 145.2
[M+NH4]+ 217.11175 162.6
[M+K]+ 238.04109 150.0
[M+H-H2O]+ 182.07519 136.7
[M+HCOO]- 244.07613 160.8
[M+CH3COO]- 258.09178 185.7
[M+Na-2H]- 220.05260 144.0
[M]+ 199.07738 146.3
[M]- 199.07848 146.3
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