CID 91636100

Methyl 5-methyl-2-(pyrrolidin-2-yl)-1,3-thiazole-4-carboxylate

Structural Information

Molecular Formula
C10H14N2O2S
SMILES
CC1=C(N=C(S1)C2CCCN2)C(=O)OC
InChI
InChI=1S/C10H14N2O2S/c1-6-8(10(13)14-2)12-9(15-6)7-4-3-5-11-7/h7,11H,3-5H2,1-2H3
InChIKey
RYRSPEAPFSAOAT-UHFFFAOYSA-N
Compound name
methyl 5-methyl-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.0776 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.08488 151.3
[M+Na]+ 249.06682 159.4
[M-H]- 225.07032 154.8
[M+NH4]+ 244.11142 170.5
[M+K]+ 265.04076 157.0
[M+H-H2O]+ 209.07486 145.0
[M+HCOO]- 271.07580 166.3
[M+CH3COO]- 285.09145 183.2
[M+Na-2H]- 247.05227 148.2
[M]+ 226.07705 151.8
[M]- 226.07815 151.8
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

No patent data available for this compound.