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 164.7
[M+Na]+ 301.11587 167.9
[M-H]- 277.11937 169.3
[M+NH4]+ 296.16047 179.4
[M+K]+ 317.08981 162.4
[M+H-H2O]+ 261.12391 161.2
[M+HCOO]- 323.12485 185.3
[M+CH3COO]- 337.14050 191.8
[M+Na-2H]- 299.10132 166.8
[M]+ 278.12610 161.9
[M]- 278.12720 161.9
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.