CID 3047494

Sl-d.230

Structural Information

Molecular Formula
C16H25NO3
SMILES
CC(C)NCC(COC1=CC=C(C=C1)OCC2CC2)O
InChI
InChI=1S/C16H25NO3/c1-12(2)17-9-14(18)11-20-16-7-5-15(6-8-16)19-10-13-3-4-13/h5-8,12-14,17-18H,3-4,9-11H2,1-2H3
InChIKey
BGTPDTUZXVFKOP-UHFFFAOYSA-N
Compound name
1-[4-(cyclopropylmethoxy)phenoxy]-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

279.18344 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.19072 165.9
[M+Na]+ 302.17266 176.6
[M+NH4]+ 297.21726 173.2
[M+K]+ 318.14660 172.6
[M-H]- 278.17616 175.1
[M+Na-2H]- 300.15811 173.4
[M]+ 279.18289 170.9
[M]- 279.18399 170.9
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

patents stripe