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]+ 279.133926 164.7
[M+Na]+ 301.115868 167.9
[M-H]- 277.119374 169.3
[M+NH4]+ 296.160473 179.4
[M+K]+ 317.089808 162.4
[M+H-H2O]+ 261.123910 161.2
[M+HCOO]- 323.124851 185.3
[M+CH3COO]- 337.140501 191.8
[M+Na-2H]- 299.101316 166.8
[M]+ 278.12610142 161.9
[M]- 278.12719858 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.