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

58
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

literature stripe

Patent stripe

patents stripe