CID 20767639

88511-36-8

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

127.009186 Da
Monoisotopic Mass

0.7
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

No literature data available for this compound.

Patent stripe

patents stripe