CID 7131624

Methyl 4-(2-chloroacetyl)-2,5-dimethyl-1-(propan-2-yl)-1h-pyrrole-3-carboxylate

Structural Information

Molecular Formula
C13H18ClNO3
SMILES
CC1=C(C(=C(N1C(C)C)C)C(=O)OC)C(=O)CCl
InChI
InChI=1S/C13H18ClNO3/c1-7(2)15-8(3)11(10(16)6-14)12(9(15)4)13(17)18-5/h7H,6H2,1-5H3
InChIKey
JTGWBCIOCWVQJO-UHFFFAOYSA-N
Compound name
methyl 4-(2-chloroacetyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.09753 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.10481 160.3
[M+Na]+ 294.08675 171.1
[M+NH4]+ 289.13135 166.3
[M+K]+ 310.06069 168.5
[M-H]- 270.09025 159.3
[M+Na-2H]- 292.07220 162.3
[M]+ 271.09698 161.6
[M]- 271.09808 161.6
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.