CID 26147

13627-87-7

Structural Information

Molecular Formula
C16H25NO4
SMILES
CC(CNCCCCOC)(C1COC2=CC=CC=C2O1)O
InChI
InChI=1S/C16H25NO4/c1-16(18,12-17-9-5-6-10-19-2)15-11-20-13-7-3-4-8-14(13)21-15/h3-4,7-8,15,17-18H,5-6,9-12H2,1-2H3
InChIKey
MZLXCKVKXIYDHQ-UHFFFAOYSA-N
Compound name
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-(4-methoxybutylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.17834 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.185616 170.6
[M+Na]+ 318.167558 174.3
[M-H]- 294.171064 173.7
[M+NH4]+ 313.212163 183.2
[M+K]+ 334.141498 174.0
[M+H-H2O]+ 278.175600 163.5
[M+HCOO]- 340.176541 186.7
[M+CH3COO]- 354.192191 203.1
[M+Na-2H]- 316.153006 178.2
[M]+ 295.17779142 173.2
[M]- 295.17888858 173.2
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.