CID 71315685

1346604-00-9

Structural Information

Molecular Formula
C16H27NO4
SMILES
CC(C)NCC(COC1=CC=C(C=C1)COCCOC)O
InChI
InChI=1S/C16H27NO4/c1-13(2)17-10-15(18)12-21-16-6-4-14(5-7-16)11-20-9-8-19-3/h4-7,13,15,17-18H,8-12H2,1-3H3
InChIKey
QEWDDLNGKAKJOA-UHFFFAOYSA-N
Compound name
1-[4-(2-methoxyethoxymethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.194 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.201276 173.3
[M+Na]+ 320.183218 176.4
[M-H]- 296.186724 174.4
[M+NH4]+ 315.227823 187.3
[M+K]+ 336.157158 175.1
[M+H-H2O]+ 280.191260 165.5
[M+HCOO]- 342.192201 193.8
[M+CH3COO]- 356.207851 205.7
[M+Na-2H]- 318.168666 174.3
[M]+ 297.19345142 177.9
[M]- 297.19454858 177.9
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.