CID 11074472

68471-57-8

Structural Information

Molecular Formula
C12H13NO2
SMILES
C1CN(C=C1)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C12H13NO2/c14-12(13-8-4-5-9-13)15-10-11-6-2-1-3-7-11/h1-4,6-8H,5,9-10H2
InChIKey
ZNLOEFQSAKKFGT-UHFFFAOYSA-N
Compound name
benzyl 2,3-dihydropyrrole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

203.09464 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.10192 144.7
[M+Na]+ 226.08386 151.2
[M-H]- 202.08736 149.8
[M+NH4]+ 221.12846 163.8
[M+K]+ 242.05780 149.1
[M+H-H2O]+ 186.09190 137.1
[M+HCOO]- 248.09284 167.5
[M+CH3COO]- 262.10849 181.6
[M+Na-2H]- 224.06931 149.1
[M]+ 203.09409 144.3
[M]- 203.09519 144.3
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.