CID 214462

33213-28-4

Structural Information

Molecular Formula
C14H23NO2
SMILES
CC(C)NCC(COC(C)C1=CC=CC=C1)O
InChI
InChI=1S/C14H23NO2/c1-11(2)15-9-14(16)10-17-12(3)13-7-5-4-6-8-13/h4-8,11-12,14-16H,9-10H2,1-3H3
InChIKey
MBNNABIVZGFXAG-UHFFFAOYSA-N
Compound name
1-(1-phenylethoxy)-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.17288 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.18016 159.4
[M+Na]+ 260.16210 162.5
[M-H]- 236.16560 160.7
[M+NH4]+ 255.20670 175.8
[M+K]+ 276.13604 160.9
[M+H-H2O]+ 220.17014 152.6
[M+HCOO]- 282.17108 179.2
[M+CH3COO]- 296.18673 195.3
[M+Na-2H]- 258.14755 160.8
[M]+ 237.17233 159.4
[M]- 237.17343 159.4
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.