CID 16217174

[(s)-(-)-1-(4-nitrophenyl)-2-pyrrolidinemethyl]acrylate

Structural Information

Molecular Formula
C14H16N2O4
SMILES
C=CC(=O)OC[C@@H]1CCCN1C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H16N2O4/c1-2-14(17)20-10-13-4-3-9-15(13)11-5-7-12(8-6-11)16(18)19/h2,5-8,13H,1,3-4,9-10H2/t13-/m0/s1
InChIKey
HCVPUFHAWIINEQ-ZDUSSCGKSA-N
Compound name
[(2S)-1-(4-nitrophenyl)pyrrolidin-2-yl]methyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

276.111 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.118276 163.7
[M+Na]+ 299.100218 168.5
[M-H]- 275.103724 168.7
[M+NH4]+ 294.144823 178.9
[M+K]+ 315.074158 161.8
[M+H-H2O]+ 259.108260 160.4
[M+HCOO]- 321.109201 185.5
[M+CH3COO]- 335.124851 191.2
[M+Na-2H]- 297.085666 166.3
[M]+ 276.11045142 161.2
[M]- 276.11154858 161.2
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