CID 44890915

886363-84-4

Structural Information

Molecular Formula
C14H20N2O3
SMILES
COC1=CC=CC=C1C(CN)N2CCC(C2)C(=O)O
InChI
InChI=1S/C14H20N2O3/c1-19-13-5-3-2-4-11(13)12(8-15)16-7-6-10(9-16)14(17)18/h2-5,10,12H,6-9,15H2,1H3,(H,17,18)
InChIKey
DMSZWLDMGGTLDP-UHFFFAOYSA-N
Compound name
1-[2-amino-1-(2-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

264.1474 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.15468 161.8
[M+Na]+ 287.13662 166.1
[M-H]- 263.14012 164.9
[M+NH4]+ 282.18122 177.2
[M+K]+ 303.11056 163.6
[M+H-H2O]+ 247.14466 154.1
[M+HCOO]- 309.14560 180.4
[M+CH3COO]- 323.16125 196.5
[M+Na-2H]- 285.12207 160.6
[M]+ 264.14685 158.8
[M]- 264.14795 158.8
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