CID 3348031

38205-66-2

Structural Information

Molecular Formula
C5H5NOS
SMILES
CC(=O)C1=CSC=N1
InChI
InChI=1S/C5H5NOS/c1-4(7)5-2-8-3-6-5/h2-3H,1H3
InChIKey
SUCLFBXGJZQZEH-UHFFFAOYSA-N
Compound name
1-(1,3-thiazol-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

350
Patents

127.009186 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.01646 122.2
[M+Na]+ 149.99840 131.8
[M-H]- 126.00191 125.4
[M+NH4]+ 145.04301 145.5
[M+K]+ 165.97234 130.8
[M+H-H2O]+ 110.00645 116.8
[M+HCOO]- 172.00739 141.7
[M+CH3COO]- 186.02304 167.9
[M+Na-2H]- 147.98385 125.3
[M]+ 127.00864 124.4
[M]- 127.00973 124.4
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