CID 2742170

Methyl 4-acetyl-1,2,5-trimethyl-1h-pyrrole-3-carboxylate

Structural Information

Molecular Formula
C11H15NO3
SMILES
CC1=C(C(=C(N1C)C)C(=O)OC)C(=O)C
InChI
InChI=1S/C11H15NO3/c1-6-9(8(3)13)10(11(14)15-5)7(2)12(6)4/h1-5H3
InChIKey
DRCKQOUJJDVCGR-UHFFFAOYSA-N
Compound name
methyl 4-acetyl-1,2,5-trimethylpyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1
Patents

209.1052 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.11248 143.2
[M+Na]+ 232.09442 153.4
[M-H]- 208.09792 146.7
[M+NH4]+ 227.13902 163.5
[M+K]+ 248.06836 152.5
[M+H-H2O]+ 192.10246 137.9
[M+HCOO]- 254.10340 165.7
[M+CH3COO]- 268.11905 190.2
[M+Na-2H]- 230.07987 143.2
[M]+ 209.10465 148.3
[M]- 209.10575 148.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe