CID 4548228

91181-19-0

Structural Information

Molecular Formula
C11H14N2O2
SMILES
CCOC(=O)C1CCC(=N1)C2=CC=CN2
InChI
InChI=1S/C11H14N2O2/c1-2-15-11(14)10-6-5-9(13-10)8-4-3-7-12-8/h3-4,7,10,12H,2,5-6H2,1H3
InChIKey
CYVDVCILMQKITK-UHFFFAOYSA-N
Compound name
ethyl 5-(1H-pyrrol-2-yl)-3,4-dihydro-2H-pyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.10553 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.11281 146.4
[M+Na]+ 229.09475 153.4
[M-H]- 205.09825 149.3
[M+NH4]+ 224.13935 165.2
[M+K]+ 245.06869 151.1
[M+H-H2O]+ 189.10279 138.8
[M+HCOO]- 251.10373 167.4
[M+CH3COO]- 265.11938 180.9
[M+Na-2H]- 227.08020 147.5
[M]+ 206.10498 145.5
[M]- 206.10608 145.5
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.