CID 2848056

2-(4-nitro-phenylcarbamoyl)-cyclohexanecarboxylic acid

Structural Information

Molecular Formula
C14H16N2O5
SMILES
C1CCC(C(C1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C14H16N2O5/c17-13(11-3-1-2-4-12(11)14(18)19)15-9-5-7-10(8-6-9)16(20)21/h5-8,11-12H,1-4H2,(H,15,17)(H,18,19)
InChIKey
OMUPALOXANKWJW-UHFFFAOYSA-N
Compound name
2-[(4-nitrophenyl)carbamoyl]cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

292.10593 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.11321 163.1
[M+Na]+ 315.09515 172.6
[M+NH4]+ 310.13975 168.9
[M+K]+ 331.06909 171.3
[M-H]- 291.09865 166.4
[M+Na-2H]- 313.08060 167.4
[M]+ 292.10538 164.8
[M]- 292.10648 164.8
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