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

3
Patents

292.10593 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.113206 162.6
[M+Na]+ 315.095148 164.7
[M-H]- 291.098654 166.9
[M+NH4]+ 310.139753 175.2
[M+K]+ 331.069088 158.5
[M+H-H2O]+ 275.103190 159.6
[M+HCOO]- 337.104131 182.2
[M+CH3COO]- 351.119781 194.4
[M+Na-2H]- 313.080596 165.5
[M]+ 292.10538142 155.9
[M]- 292.10647858 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