CID 3015940

1-(4-methylthiazol-2-yl)pyrrolidin-2-one

Structural Information

Molecular Formula
C8H10N2OS
SMILES
CC1=CSC(=N1)N2CCCC2=O
InChI
InChI=1S/C8H10N2OS/c1-6-5-12-8(9-6)10-4-2-3-7(10)11/h5H,2-4H2,1H3
InChIKey
SBHVIWWABYNDCX-UHFFFAOYSA-N
Compound name
1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

3
Patents

182.05139 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.058666 138.2
[M+Na]+ 205.040608 148.2
[M-H]- 181.044114 143.4
[M+NH4]+ 200.085213 160.1
[M+K]+ 221.014548 146.2
[M+H-H2O]+ 165.048650 132.0
[M+HCOO]- 227.049591 156.3
[M+CH3COO]- 241.065241 152.2
[M+Na-2H]- 203.026056 137.3
[M]+ 182.05084142 139.2
[M]- 182.05193858 139.2
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