CID 3047492

63659-22-3

Structural Information

Molecular Formula
C17H27NO3
SMILES
CC(C)NCC(COC1=CC=C(C=C1)COCC2CC2)O
InChI
InChI=1S/C17H27NO3/c1-13(2)18-9-16(19)12-21-17-7-5-15(6-8-17)11-20-10-14-3-4-14/h5-8,13-14,16,18-19H,3-4,9-12H2,1-2H3
InChIKey
UOKWVICUCYNXFO-UHFFFAOYSA-N
Compound name
1-[4-(cyclopropylmethoxymethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

293.1991 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.20638 169.7
[M+Na]+ 316.18832 180.3
[M+NH4]+ 311.23292 176.9
[M+K]+ 332.16226 176.0
[M-H]- 292.19182 178.9
[M+Na-2H]- 314.17377 177.0
[M]+ 293.19855 174.7
[M]- 293.19965 174.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe