CID 10632474

Methyl 4-(2-chloroacetyl)-5-methyl-1h-pyrrole-2-carboxylate

Structural Information

Molecular Formula
C9H10ClNO3
SMILES
CC1=C(C=C(N1)C(=O)OC)C(=O)CCl
InChI
InChI=1S/C9H10ClNO3/c1-5-6(8(12)4-10)3-7(11-5)9(13)14-2/h3,11H,4H2,1-2H3
InChIKey
DEJIKJRQRUZJSV-UHFFFAOYSA-N
Compound name
methyl 4-(2-chloroacetyl)-5-methyl-1H-pyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.03493 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.04221 143.3
[M+Na]+ 238.02415 152.8
[M-H]- 214.02765 144.8
[M+NH4]+ 233.06875 162.8
[M+K]+ 253.99809 149.4
[M+H-H2O]+ 198.03219 138.4
[M+HCOO]- 260.03313 160.3
[M+CH3COO]- 274.04878 182.9
[M+Na-2H]- 236.00960 144.5
[M]+ 215.03438 146.7
[M]- 215.03548 146.7
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.