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]+ 207.112806 146.4
[M+Na]+ 229.094748 153.4
[M-H]- 205.098254 149.3
[M+NH4]+ 224.139353 165.2
[M+K]+ 245.068688 151.1
[M+H-H2O]+ 189.102790 138.8
[M+HCOO]- 251.103731 167.4
[M+CH3COO]- 265.119381 180.9
[M+Na-2H]- 227.080196 147.5
[M]+ 206.10498142 145.5
[M]- 206.10607858 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.