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]+ 298.20128 173.3
[M+Na]+ 320.18322 176.4
[M-H]- 296.18672 174.4
[M+NH4]+ 315.22782 187.3
[M+K]+ 336.15716 175.1
[M+H-H2O]+ 280.19126 165.5
[M+HCOO]- 342.19220 193.8
[M+CH3COO]- 356.20785 205.7
[M+Na-2H]- 318.16867 174.3
[M]+ 297.19345 177.9
[M]- 297.19455 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.