CID 261893

5-phenyl-3,4-dihydro-2h-pyrrole

Structural Information

Molecular Formula
C10H11N
SMILES
C1CC(=NC1)C2=CC=CC=C2
InChI
InChI=1S/C10H11N/c1-2-5-9(6-3-1)10-7-4-8-11-10/h1-3,5-6H,4,7-8H2
InChIKey
PQZAWZGYOZRUFT-UHFFFAOYSA-N
Compound name
5-phenyl-3,4-dihydro-2H-pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

179
Patents

145.08914 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.096416 128.9
[M+Na]+ 168.078358 136.2
[M-H]- 144.081864 134.1
[M+NH4]+ 163.122963 150.4
[M+K]+ 184.052298 133.7
[M+H-H2O]+ 128.086400 121.8
[M+HCOO]- 190.087341 152.7
[M+CH3COO]- 204.102991 142.9
[M+Na-2H]- 166.063806 135.6
[M]+ 145.08859142 126.4
[M]- 145.08968858 126.4
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