CID 17930988

1-(4-methyl-1,3-thiazol-2-yl)propan-2-one

Structural Information

Molecular Formula
C7H9NOS
SMILES
CC1=CSC(=N1)CC(=O)C
InChI
InChI=1S/C7H9NOS/c1-5-4-10-7(8-5)3-6(2)9/h4H,3H2,1-2H3
InChIKey
UNHLIHFLAIAZRV-UHFFFAOYSA-N
Compound name
1-(4-methyl-1,3-thiazol-2-yl)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

155.04048 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.04776 130.5
[M+Na]+ 178.02970 140.2
[M-H]- 154.03320 133.7
[M+NH4]+ 173.07430 153.0
[M+K]+ 194.00364 138.5
[M+H-H2O]+ 138.03774 125.0
[M+HCOO]- 200.03868 149.4
[M+CH3COO]- 214.05433 175.0
[M+Na-2H]- 176.01515 132.0
[M]+ 155.03993 133.8
[M]- 155.04103 133.8
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