CID 3781306

5-[1-(dimethylamino)propyl]-1,3,4-oxadiazole-2-thiol

Structural Information

Molecular Formula
C7H13N3OS
SMILES
CCC(C1=NNC(=S)O1)N(C)C
InChI
InChI=1S/C7H13N3OS/c1-4-5(10(2)3)6-8-9-7(12)11-6/h5H,4H2,1-3H3,(H,9,12)
InChIKey
CEGORZBYZGUULV-UHFFFAOYSA-N
Compound name
5-[1-(dimethylamino)propyl]-3H-1,3,4-oxadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

187.07793 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.08521 140.1
[M+Na]+ 210.06715 148.6
[M-H]- 186.07065 142.4
[M+NH4]+ 205.11175 158.2
[M+K]+ 226.04109 147.9
[M+H-H2O]+ 170.07519 133.3
[M+HCOO]- 232.07613 156.7
[M+CH3COO]- 246.09178 183.4
[M+Na-2H]- 208.05260 141.4
[M]+ 187.07738 142.8
[M]- 187.07848 142.8
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.