CID 43145754

Methyl 2-[3-(2-chloroacetyl)-2,5-dimethyl-1h-pyrrol-1-yl]acetate

Structural Information

Molecular Formula
C11H14ClNO3
SMILES
CC1=CC(=C(N1CC(=O)OC)C)C(=O)CCl
InChI
InChI=1S/C11H14ClNO3/c1-7-4-9(10(14)5-12)8(2)13(7)6-11(15)16-3/h4H,5-6H2,1-3H3
InChIKey
GREGJLWAOFZOPE-UHFFFAOYSA-N
Compound name
methyl 2-[3-(2-chloroacetyl)-2,5-dimethylpyrrol-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.06622 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.073496 151.0
[M+Na]+ 266.055438 161.0
[M-H]- 242.058944 153.9
[M+NH4]+ 261.100043 170.4
[M+K]+ 282.029378 158.0
[M+H-H2O]+ 226.063480 145.8
[M+HCOO]- 288.064421 168.8
[M+CH3COO]- 302.080071 192.7
[M+Na-2H]- 264.040886 151.1
[M]+ 243.06567142 157.4
[M]- 243.06676858 157.4
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.