CID 590869

4-(4-nitrophenyl)butan-1-ol

Structural Information

Molecular Formula
C10H13NO3
SMILES
C1=CC(=CC=C1CCCCO)[N+](=O)[O-]
InChI
InChI=1S/C10H13NO3/c12-8-2-1-3-9-4-6-10(7-5-9)11(13)14/h4-7,12H,1-3,8H2
InChIKey
MFYJBAQONVFIFC-UHFFFAOYSA-N
Compound name
4-(4-nitrophenyl)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

248
Patents

195.08954 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.096816 141.8
[M+Na]+ 218.078758 148.1
[M-H]- 194.082264 144.0
[M+NH4]+ 213.123363 159.8
[M+K]+ 234.052698 141.8
[M+H-H2O]+ 178.086800 140.5
[M+HCOO]- 240.087741 166.0
[M+CH3COO]- 254.103391 176.1
[M+Na-2H]- 216.064206 149.0
[M]+ 195.08899142 140.9
[M]- 195.09008858 140.9
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