CID 80481

2-cyclohexyl-4-nitrophenol

Structural Information

Molecular Formula
C12H15NO3
SMILES
C1CCC(CC1)C2=C(C=CC(=C2)[N+](=O)[O-])O
InChI
InChI=1S/C12H15NO3/c14-12-7-6-10(13(15)16)8-11(12)9-4-2-1-3-5-9/h6-9,14H,1-5H2
InChIKey
JXGVRKOUPGWANZ-UHFFFAOYSA-N
Compound name
2-cyclohexyl-4-nitrophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

12
Patents

221.1052 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.11248 147.8
[M+Na]+ 244.09442 152.1
[M-H]- 220.09792 152.6
[M+NH4]+ 239.13902 164.3
[M+K]+ 260.06836 145.3
[M+H-H2O]+ 204.10246 145.7
[M+HCOO]- 266.10340 168.4
[M+CH3COO]- 280.11905 180.0
[M+Na-2H]- 242.07987 153.1
[M]+ 221.10465 141.3
[M]- 221.10575 141.3
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