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]+ 277.11828 163.7
[M+Na]+ 299.10022 168.5
[M-H]- 275.10372 168.7
[M+NH4]+ 294.14482 178.9
[M+K]+ 315.07416 161.8
[M+H-H2O]+ 259.10826 160.4
[M+HCOO]- 321.10920 185.5
[M+CH3COO]- 335.12485 191.2
[M+Na-2H]- 297.08567 166.3
[M]+ 276.11045 161.2
[M]- 276.11155 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