CID 3064822

Brn 5545910

Structural Information

Molecular Formula
C17H25NO2
SMILES
CC(C)NCC(COC1=CC=C(C=C1)C2=CCCC2)O
InChI
InChI=1S/C17H25NO2/c1-13(2)18-11-16(19)12-20-17-9-7-15(8-10-17)14-5-3-4-6-14/h5,7-10,13,16,18-19H,3-4,6,11-12H2,1-2H3
InChIKey
OUHYKNHQWPWFIY-UHFFFAOYSA-N
Compound name
1-[4-(cyclopenten-1-yl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.18854 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.195816 168.3
[M+Na]+ 298.177758 171.3
[M-H]- 274.181264 172.8
[M+NH4]+ 293.222363 184.8
[M+K]+ 314.151698 168.3
[M+H-H2O]+ 258.185800 160.9
[M+HCOO]- 320.186741 188.9
[M+CH3COO]- 334.202391 200.5
[M+Na-2H]- 296.163206 168.1
[M]+ 275.18799142 167.2
[M]- 275.18908858 167.2
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.