CID 44890898

886364-05-2

Structural Information

Molecular Formula
C14H20N2O2
SMILES
CC1=CC=C(C=C1)C(CN)N2CCC(C2)C(=O)O
InChI
InChI=1S/C14H20N2O2/c1-10-2-4-11(5-3-10)13(8-15)16-7-6-12(9-16)14(17)18/h2-5,12-13H,6-9,15H2,1H3,(H,17,18)
InChIKey
FSKYQMYLIYKANW-UHFFFAOYSA-N
Compound name
1-[2-amino-1-(4-methylphenyl)ethyl]pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.15248 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.15976 159.3
[M+Na]+ 271.14170 168.1
[M+NH4]+ 266.18630 166.0
[M+K]+ 287.11564 165.3
[M-H]- 247.14520 161.2
[M+Na-2H]- 269.12715 163.3
[M]+ 248.15193 160.7
[M]- 248.15303 160.7
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

No patent data available for this compound.