CID 202168

Sas 501

Structural Information

Molecular Formula
C13H21NO3
SMILES
COCCCNCC(COC1=CC=CC=C1)O
InChI
InChI=1S/C13H21NO3/c1-16-9-5-8-14-10-12(15)11-17-13-6-3-2-4-7-13/h2-4,6-7,12,14-15H,5,8-11H2,1H3
InChIKey
OHHPOPDXFGJFEA-UHFFFAOYSA-N
Compound name
1-(3-methoxypropylamino)-3-phenoxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.15215 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.159426 156.4
[M+Na]+ 262.141368 160.2
[M-H]- 238.144874 157.6
[M+NH4]+ 257.185973 172.7
[M+K]+ 278.115308 158.5
[M+H-H2O]+ 222.149410 149.2
[M+HCOO]- 284.150351 178.8
[M+CH3COO]- 298.166001 192.6
[M+Na-2H]- 260.126816 161.0
[M]+ 239.15160142 158.7
[M]- 239.15269858 158.7
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.