CID 59432060

1-(4-cyclopropyl-1,2,3-thiadiazol-5-yl)ethan-1-one

Structural Information

Molecular Formula
C7H8N2OS
SMILES
CC(=O)C1=C(N=NS1)C2CC2
InChI
InChI=1S/C7H8N2OS/c1-4(10)7-6(5-2-3-5)8-9-11-7/h5H,2-3H2,1H3
InChIKey
ODWAEPCZHFUILH-UHFFFAOYSA-N
Compound name
1-(4-cyclopropylthiadiazol-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

168.03574 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.04302 134.8
[M+Na]+ 191.02496 146.1
[M-H]- 167.02846 140.4
[M+NH4]+ 186.06956 150.3
[M+K]+ 206.99890 142.9
[M+H-H2O]+ 151.03300 127.8
[M+HCOO]- 213.03394 153.0
[M+CH3COO]- 227.04959 179.8
[M+Na-2H]- 189.01041 136.4
[M]+ 168.03519 139.4
[M]- 168.03629 139.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe