CID 14667723

2763755-12-8

Structural Information

Molecular Formula
C14H17NO2
SMILES
CCOC(=O)C1=CCN(C1)CC2=CC=CC=C2
InChI
InChI=1S/C14H17NO2/c1-2-17-14(16)13-8-9-15(11-13)10-12-6-4-3-5-7-12/h3-8H,2,9-11H2,1H3
InChIKey
JXEUGJMMTIWQIF-UHFFFAOYSA-N
Compound name
ethyl 1-benzyl-2,5-dihydropyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

231.12593 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.133206 153.4
[M+Na]+ 254.115148 159.8
[M-H]- 230.118654 158.4
[M+NH4]+ 249.159753 171.5
[M+K]+ 270.089088 157.2
[M+H-H2O]+ 214.123190 145.6
[M+HCOO]- 276.124131 175.5
[M+CH3COO]- 290.139781 189.4
[M+Na-2H]- 252.100596 155.9
[M]+ 231.12538142 154.1
[M]- 231.12647858 154.1
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