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 162.3
[M+Na]+ 302.17266 167.6
[M-H]- 278.17616 167.7
[M+NH4]+ 297.21726 172.6
[M+K]+ 318.14660 164.4
[M+H-H2O]+ 262.18070 154.9
[M+HCOO]- 324.18164 183.4
[M+CH3COO]- 338.19729 204.5
[M+Na-2H]- 300.15811 164.5
[M]+ 279.18289 166.8
[M]- 279.18399 166.8
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

patents stripe