CID 4962533

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

Structural Information

Molecular Formula
C11H12N2O3
SMILES
CC1=CC(=C(N1C2=NOC(=C2)C)C)C(=O)O
InChI
InChI=1S/C11H12N2O3/c1-6-4-9(11(14)15)8(3)13(6)10-5-7(2)16-12-10/h4-5H,1-3H3,(H,14,15)
InChIKey
VZCAPDCBGHRAFS-UHFFFAOYSA-N
Compound name
2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.0848 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.09208 146.5
[M+Na]+ 243.07402 159.0
[M+NH4]+ 238.11862 152.8
[M+K]+ 259.04796 158.9
[M-H]- 219.07752 148.5
[M+Na-2H]- 241.05947 151.4
[M]+ 220.08425 148.7
[M]- 220.08535 148.7
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.