CID 2942421

42106-50-3

Structural Information

Molecular Formula
C12H14N2O4
SMILES
C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C12H14N2O4/c15-12(16)10-8-9(14(17)18)4-5-11(10)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7H2,(H,15,16)
InChIKey
BJFMTEPHRNENIO-UHFFFAOYSA-N
Compound name
5-nitro-2-piperidin-1-ylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

28
Patents

250.09535 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.10263 152.9
[M+Na]+ 273.08457 164.7
[M+NH4]+ 268.12917 159.8
[M+K]+ 289.05851 162.4
[M-H]- 249.08807 156.2
[M+Na-2H]- 271.07002 158.5
[M]+ 250.09480 155.1
[M]- 250.09590 155.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe