CID 24223

Sas 517

Structural Information

Molecular Formula
C16H27NO3
SMILES
CC(C)(C(CNCCCCOC)O)OC1=CC=CC=C1
InChI
InChI=1S/C16H27NO3/c1-16(2,20-14-9-5-4-6-10-14)15(18)13-17-11-7-8-12-19-3/h4-6,9-10,15,17-18H,7-8,11-13H2,1-3H3
InChIKey
GOXJEQMNHQSIGN-UHFFFAOYSA-N
Compound name
1-(4-methoxybutylamino)-3-methyl-3-phenoxybutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1991 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.206376 170.3
[M+Na]+ 304.188318 173.3
[M-H]- 280.191824 171.3
[M+NH4]+ 299.232923 185.0
[M+K]+ 320.162258 171.3
[M+H-H2O]+ 264.196360 163.2
[M+HCOO]- 326.197301 190.1
[M+CH3COO]- 340.212951 202.0
[M+Na-2H]- 302.173766 174.1
[M]+ 281.19855142 173.3
[M]- 281.19964858 173.3
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.