CID 3057150

73972-48-2

Structural Information

Molecular Formula
C14H23NO2
SMILES
CCCCNCC(CC1=CC=CC=C1OC)O
InChI
InChI=1S/C14H23NO2/c1-3-4-9-15-11-13(16)10-12-7-5-6-8-14(12)17-2/h5-8,13,15-16H,3-4,9-11H2,1-2H3
InChIKey
NYUDRCHSZYHVOY-UHFFFAOYSA-N
Compound name
1-(butylamino)-3-(2-methoxyphenyl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.17288 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.18016 158.1
[M+Na]+ 260.16210 162.6
[M-H]- 236.16560 159.6
[M+NH4]+ 255.20670 174.9
[M+K]+ 276.13604 160.0
[M+H-H2O]+ 220.17014 151.2
[M+HCOO]- 282.17108 179.9
[M+CH3COO]- 296.18673 194.7
[M+Na-2H]- 258.14755 161.3
[M]+ 237.17233 159.7
[M]- 237.17343 159.7
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.