CID 14449691

Ethyl 5-(propan-2-yl)-1h-pyrrole-2-carboxylate

Structural Information

Molecular Formula
C10H15NO2
SMILES
CCOC(=O)C1=CC=C(N1)C(C)C
InChI
InChI=1S/C10H15NO2/c1-4-13-10(12)9-6-5-8(11-9)7(2)3/h5-7,11H,4H2,1-3H3
InChIKey
DIKSRSZYQUJHDD-UHFFFAOYSA-N
Compound name
ethyl 5-propan-2-yl-1H-pyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

181.11028 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.11756 141.4
[M+Na]+ 204.09950 148.6
[M-H]- 180.10300 142.5
[M+NH4]+ 199.14410 161.4
[M+K]+ 220.07344 147.1
[M+H-H2O]+ 164.10754 135.5
[M+HCOO]- 226.10848 162.3
[M+CH3COO]- 240.12413 179.7
[M+Na-2H]- 202.08495 143.1
[M]+ 181.10973 142.2
[M]- 181.11083 142.2
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

patents stripe