CID 21074604

1-benzoylpyrrolidin-3-amine dihydrochloride

Structural Information

Molecular Formula
C11H14N2O
SMILES
C1CN(CC1N)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C11H14N2O/c12-10-6-7-13(8-10)11(14)9-4-2-1-3-5-9/h1-5,10H,6-8,12H2
InChIKey
GOCPFGTXVLZUDQ-UHFFFAOYSA-N
Compound name
(3-aminopyrrolidin-1-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

190.11061 Da
Monoisotopic Mass

0.6
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

No literature data available for this compound.

Patent stripe

patents stripe