CID 175615

94515-15-8

Structural Information

Molecular Formula
C14H18N2O4
SMILES
COC(=O)C(CN1CCCC1)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H18N2O4/c1-20-14(17)13(10-15-8-2-3-9-15)11-4-6-12(7-5-11)16(18)19/h4-7,13H,2-3,8-10H2,1H3
InChIKey
GTYCDNOLWOCMLF-UHFFFAOYSA-N
Compound name
methyl 2-(4-nitrophenyl)-3-pyrrolidin-1-ylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.12665 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.13393 162.4
[M+Na]+ 301.11587 172.4
[M+NH4]+ 296.16047 168.8
[M+K]+ 317.08981 172.0
[M-H]- 277.11937 165.0
[M+Na-2H]- 299.10132 166.8
[M]+ 278.12610 164.1
[M]- 278.12720 164.1
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.