CID 3737139

Methyl 5-(2-chloropropanoyl)-2,4-dimethyl-1h-pyrrole-3-carboxylate

Structural Information

Molecular Formula
C11H14ClNO3
SMILES
CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)Cl
InChI
InChI=1S/C11H14ClNO3/c1-5-8(11(15)16-4)7(3)13-9(5)10(14)6(2)12/h6,13H,1-4H3
InChIKey
DBNMDTVKDWABTM-UHFFFAOYSA-N
Compound name
methyl 5-(2-chloropropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.06622 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.07350 152.4
[M+Na]+ 266.05544 162.6
[M+NH4]+ 261.10004 158.3
[M+K]+ 282.02938 160.6
[M-H]- 242.05894 150.9
[M+Na-2H]- 264.04089 154.4
[M]+ 243.06567 153.3
[M]- 243.06677 153.3
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.

Patent stripe

No patent data available for this compound.