CID 91926

2-cyclopentyl-4-nitrophenol

Structural Information

Molecular Formula
C11H13NO3
SMILES
C1CCC(C1)C2=C(C=CC(=C2)[N+](=O)[O-])O
InChI
InChI=1S/C11H13NO3/c13-11-6-5-9(12(14)15)7-10(11)8-3-1-2-4-8/h5-8,13H,1-4H2
InChIKey
ABDCPGIQMBSVEO-UHFFFAOYSA-N
Compound name
2-cyclopentyl-4-nitrophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

207.08954 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.096816 144.5
[M+Na]+ 230.078758 150.1
[M-H]- 206.082264 149.8
[M+NH4]+ 225.123363 163.4
[M+K]+ 246.052698 143.4
[M+H-H2O]+ 190.086800 143.0
[M+HCOO]- 252.087741 167.5
[M+CH3COO]- 266.103391 176.5
[M+Na-2H]- 228.064206 149.0
[M]+ 207.08899142 139.6
[M]- 207.09008858 139.6
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