CID 115059274

(2-phenylpyrrolidin-2-yl)methanamine

Structural Information

Molecular Formula
C11H16N2
SMILES
C1CC(NC1)(CN)C2=CC=CC=C2
InChI
InChI=1S/C11H16N2/c12-9-11(7-4-8-13-11)10-5-2-1-3-6-10/h1-3,5-6,13H,4,7-9,12H2
InChIKey
IPUNFMORXOVGOZ-UHFFFAOYSA-N
Compound name
(2-phenylpyrrolidin-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

176.13135 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.138626 139.5
[M+Na]+ 199.120568 145.0
[M-H]- 175.124074 142.6
[M+NH4]+ 194.165173 160.4
[M+K]+ 215.094508 141.2
[M+H-H2O]+ 159.128610 132.6
[M+HCOO]- 221.129551 160.5
[M+CH3COO]- 235.145201 151.4
[M+Na-2H]- 197.106016 144.7
[M]+ 176.13080142 132.7
[M]- 176.13189858 132.7
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