CID 16785582

2,5-dimethyl-1-(1,3-thiazol-2-yl)-1h-pyrrole-3-carboxylic acid

Structural Information

Molecular Formula
C10H10N2O2S
SMILES
CC1=CC(=C(N1C2=NC=CS2)C)C(=O)O
InChI
InChI=1S/C10H10N2O2S/c1-6-5-8(9(13)14)7(2)12(6)10-11-3-4-15-10/h3-5H,1-2H3,(H,13,14)
InChIKey
MMRRNHQDDPKVFA-UHFFFAOYSA-N
Compound name
2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.0463 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.05358 148.5
[M+Na]+ 245.03552 160.4
[M+NH4]+ 240.08012 156.0
[M+K]+ 261.00946 157.0
[M-H]- 221.03902 149.9
[M+Na-2H]- 243.02097 153.7
[M]+ 222.04575 150.9
[M]- 222.04685 150.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.