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]+ 282.20638 170.3
[M+Na]+ 304.18832 173.3
[M-H]- 280.19182 171.3
[M+NH4]+ 299.23292 185.0
[M+K]+ 320.16226 171.3
[M+H-H2O]+ 264.19636 163.2
[M+HCOO]- 326.19730 190.1
[M+CH3COO]- 340.21295 202.0
[M+Na-2H]- 302.17377 174.1
[M]+ 281.19855 173.3
[M]- 281.19965 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.