CID 13528392

3-(4-aminophenoxy)propan-1-ol

Structural Information

Molecular Formula
C9H13NO2
SMILES
C1=CC(=CC=C1N)OCCCO
InChI
InChI=1S/C9H13NO2/c10-8-2-4-9(5-3-8)12-7-1-6-11/h2-5,11H,1,6-7,10H2
InChIKey
OHLRTNAZWWQJJT-UHFFFAOYSA-N
Compound name
3-(4-aminophenoxy)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

167.09464 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.10192 134.8
[M+Na]+ 190.08386 141.8
[M-H]- 166.08736 136.7
[M+NH4]+ 185.12846 154.3
[M+K]+ 206.05780 139.6
[M+H-H2O]+ 150.09190 129.0
[M+HCOO]- 212.09284 158.8
[M+CH3COO]- 226.10849 178.1
[M+Na-2H]- 188.06931 141.1
[M]+ 167.09409 134.3
[M]- 167.09519 134.3
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