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]+ 169.043016 134.8
[M+Na]+ 191.024958 146.1
[M-H]- 167.028464 140.4
[M+NH4]+ 186.069563 150.3
[M+K]+ 206.998898 142.9
[M+H-H2O]+ 151.033000 127.8
[M+HCOO]- 213.033941 153.0
[M+CH3COO]- 227.049591 179.8
[M+Na-2H]- 189.010406 136.4
[M]+ 168.03519142 139.4
[M]- 168.03628858 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