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]+ 244.07350 151.0
[M+Na]+ 266.05544 161.0
[M-H]- 242.05894 153.9
[M+NH4]+ 261.10004 170.4
[M+K]+ 282.02938 158.0
[M+H-H2O]+ 226.06348 145.8
[M+HCOO]- 288.06442 168.8
[M+CH3COO]- 302.08007 192.7
[M+Na-2H]- 264.04089 151.1
[M]+ 243.06567 157.4
[M]- 243.06677 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.