CID 2848056

17716-19-7

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 162.6
[M+Na]+ 315.09515 164.7
[M-H]- 291.09865 166.9
[M+NH4]+ 310.13975 175.2
[M+K]+ 331.06909 158.5
[M+H-H2O]+ 275.10319 159.6
[M+HCOO]- 337.10413 182.2
[M+CH3COO]- 351.11978 194.4
[M+Na-2H]- 313.08060 165.5
[M]+ 292.10538 155.9
[M]- 292.10648 155.9
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

patents stripe