CID 26150

Brn 1388403

Structural Information

Molecular Formula
C16H25NO4
SMILES
CC1C(OC2=CC=CC=C2O1)C(CNCCCCOC)O
InChI
InChI=1S/C16H25NO4/c1-12-16(13(18)11-17-9-5-6-10-19-2)21-15-8-4-3-7-14(15)20-12/h3-4,7-8,12-13,16-18H,5-6,9-11H2,1-2H3
InChIKey
SQCGIVRZLBGFFN-UHFFFAOYSA-N
Compound name
2-(4-methoxybutylamino)-1-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.17834 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.185616 172.0
[M+Na]+ 318.167558 175.9
[M-H]- 294.171064 175.3
[M+NH4]+ 313.212163 184.7
[M+K]+ 334.141498 175.6
[M+H-H2O]+ 278.175600 164.5
[M+HCOO]- 340.176541 188.6
[M+CH3COO]- 354.192191 204.7
[M+Na-2H]- 316.153006 176.7
[M]+ 295.17779142 174.9
[M]- 295.17888858 174.9
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.