CID 26148

13627-89-9

Structural Information

Molecular Formula
C14H21NO4
SMILES
CC1C(OC2=CC=CC=C2O1)C(CNCCOC)O
InChI
InChI=1S/C14H21NO4/c1-10-14(11(16)9-15-7-8-17-2)19-13-6-4-3-5-12(13)18-10/h3-6,10-11,14-16H,7-9H2,1-2H3
InChIKey
ILMIXXVAQMFUGM-UHFFFAOYSA-N
Compound name
2-(2-methoxyethylamino)-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

267.14706 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.154336 162.6
[M+Na]+ 290.136278 167.5
[M-H]- 266.139784 166.3
[M+NH4]+ 285.180883 176.5
[M+K]+ 306.110218 167.6
[M+H-H2O]+ 250.144320 155.5
[M+HCOO]- 312.145261 179.9
[M+CH3COO]- 326.160911 198.7
[M+Na-2H]- 288.121726 168.4
[M]+ 267.14651142 164.8
[M]- 267.14760858 164.8
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.