CID 24220

Sas 512

Structural Information

Molecular Formula
C13H21NO3
SMILES
CC(C(CNCCOC)O)OC1=CC=CC=C1
InChI
InChI=1S/C13H21NO3/c1-11(13(15)10-14-8-9-16-2)17-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3
InChIKey
SAYKXLOHQBZQLI-UHFFFAOYSA-N
Compound name
1-(2-methoxyethylamino)-3-phenoxybutan-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]+ 240.15943 156.7
[M+Na]+ 262.14137 165.9
[M+NH4]+ 257.18597 163.4
[M+K]+ 278.11531 160.7
[M-H]- 238.14487 157.7
[M+Na-2H]- 260.12682 161.3
[M]+ 239.15160 157.9
[M]- 239.15270 157.9
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.