CID 207310

29632-49-3

Structural Information

Molecular Formula
C15H23NO2
SMILES
CC(C)NCC(COC1=CC=C(C=C1)C2CC2)O
InChI
InChI=1S/C15H23NO2/c1-11(2)16-9-14(17)10-18-15-7-5-13(6-8-15)12-3-4-12/h5-8,11-12,14,16-17H,3-4,9-10H2,1-2H3
InChIKey
PHTXELQMXPREHU-UHFFFAOYSA-N
Compound name
1-(4-cyclopropylphenoxy)-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.17288 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.18016 154.6
[M+Na]+ 272.16210 160.5
[M-H]- 248.16560 160.2
[M+NH4]+ 267.20670 166.2
[M+K]+ 288.13604 157.1
[M+H-H2O]+ 232.17014 147.5
[M+HCOO]- 294.17108 175.9
[M+CH3COO]- 308.18673 199.6
[M+Na-2H]- 270.14755 157.4
[M]+ 249.17233 157.4
[M]- 249.17343 157.4
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