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]+ 238.180156 158.1
[M+Na]+ 260.162098 162.6
[M-H]- 236.165604 159.6
[M+NH4]+ 255.206703 174.9
[M+K]+ 276.136038 160.0
[M+H-H2O]+ 220.170140 151.2
[M+HCOO]- 282.171081 179.9
[M+CH3COO]- 296.186731 194.7
[M+Na-2H]- 258.147546 161.3
[M]+ 237.17233142 159.7
[M]- 237.17342858 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.