CID 169110

2-acetyl-2-thiazoline

Structural Information

Molecular Formula
C5H7NOS
SMILES
CC(=O)C1=NCCS1
InChI
InChI=1S/C5H7NOS/c1-4(7)5-6-2-3-8-5/h2-3H2,1H3
InChIKey
FZOZFDAMVVEZSJ-UHFFFAOYSA-N
Compound name
1-(4,5-dihydro-1,3-thiazol-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

13
References

899
Patents

129.02484 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.032116 124.1
[M+Na]+ 152.014058 132.7
[M-H]- 128.017564 126.9
[M+NH4]+ 147.058663 147.2
[M+K]+ 167.987998 131.9
[M+H-H2O]+ 112.022100 118.7
[M+HCOO]- 174.023041 142.2
[M+CH3COO]- 188.038691 168.3
[M+Na-2H]- 149.999506 126.2
[M]+ 129.02429142 124.9
[M]- 129.02538858 124.9
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