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]+ 276.19582 168.3
[M+Na]+ 298.17776 171.3
[M-H]- 274.18126 172.8
[M+NH4]+ 293.22236 184.8
[M+K]+ 314.15170 168.3
[M+H-H2O]+ 258.18580 160.9
[M+HCOO]- 320.18674 188.9
[M+CH3COO]- 334.20239 200.5
[M+Na-2H]- 296.16321 168.1
[M]+ 275.18799 167.2
[M]- 275.18909 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.