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]+ 296.18562 170.6
[M+Na]+ 318.16756 174.3
[M-H]- 294.17106 173.7
[M+NH4]+ 313.21216 183.2
[M+K]+ 334.14150 174.0
[M+H-H2O]+ 278.17560 163.5
[M+HCOO]- 340.17654 186.7
[M+CH3COO]- 354.19219 203.1
[M+Na-2H]- 316.15301 178.2
[M]+ 295.17779 173.2
[M]- 295.17889 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.