CID 577800

56302-41-1

Structural Information

Molecular Formula
C11H14N2O
SMILES
C1CCN(C1)C(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C11H14N2O/c12-10-5-3-9(4-6-10)11(14)13-7-1-2-8-13/h3-6H,1-2,7-8,12H2
InChIKey
WDNQOCWBZBGFHU-UHFFFAOYSA-N
Compound name
(4-aminophenyl)-pyrrolidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

307
Patents

190.11061 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.11789 142.2
[M+Na]+ 213.09983 148.1
[M-H]- 189.10333 146.9
[M+NH4]+ 208.14443 161.4
[M+K]+ 229.07377 145.4
[M+H-H2O]+ 173.10787 134.8
[M+HCOO]- 235.10881 164.1
[M+CH3COO]- 249.12446 182.9
[M+Na-2H]- 211.08528 144.8
[M]+ 190.11006 137.4
[M]- 190.11116 137.4
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