CID 24253

Sas 514

Structural Information

Molecular Formula
C15H25NO3
SMILES
CC(C(CNCCCCOC)O)OC1=CC=CC=C1
InChI
InChI=1S/C15H25NO3/c1-13(19-14-8-4-3-5-9-14)15(17)12-16-10-6-7-11-18-2/h3-5,8-9,13,15-17H,6-7,10-12H2,1-2H3
InChIKey
IVEWTWUIQFOXHV-UHFFFAOYSA-N
Compound name
1-(4-methoxybutylamino)-3-phenoxybutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.18344 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.190716 166.3
[M+Na]+ 290.172658 169.1
[M-H]- 266.176164 167.3
[M+NH4]+ 285.217263 181.4
[M+K]+ 306.146598 167.3
[M+H-H2O]+ 250.180700 158.8
[M+HCOO]- 312.181641 187.0
[M+CH3COO]- 326.197291 199.4
[M+Na-2H]- 288.158106 168.5
[M]+ 267.18289142 168.7
[M]- 267.18398858 168.7
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.