CID 3063177

1-pentanol, 5-(p-aminophenoxy)-

Structural Information

Molecular Formula
C11H17NO2
SMILES
C1=CC(=CC=C1N)OCCCCCO
InChI
InChI=1S/C11H17NO2/c12-10-4-6-11(7-5-10)14-9-3-1-2-8-13/h4-7,13H,1-3,8-9,12H2
InChIKey
UGIFBNVGQGRKEM-UHFFFAOYSA-N
Compound name
5-(4-aminophenoxy)pentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.12593 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.13321 144.0
[M+Na]+ 218.11515 150.1
[M-H]- 194.11865 145.5
[M+NH4]+ 213.15975 162.3
[M+K]+ 234.08909 147.4
[M+H-H2O]+ 178.12319 137.7
[M+HCOO]- 240.12413 167.2
[M+CH3COO]- 254.13978 184.1
[M+Na-2H]- 216.10060 149.1
[M]+ 195.12538 144.2
[M]- 195.12648 144.2
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

No patent data available for this compound.