CID 205325

1-(isopropylamino)-3-(2,4,5-trimethylphenoxy)-2-propanol

Structural Information

Molecular Formula
C15H25NO2
SMILES
CC1=CC(=C(C=C1C)OCC(CNC(C)C)O)C
InChI
InChI=1S/C15H25NO2/c1-10(2)16-8-14(17)9-18-15-7-12(4)11(3)6-13(15)5/h6-7,10,14,16-17H,8-9H2,1-5H3
InChIKey
ZIEQIKOSADHSOJ-UHFFFAOYSA-N
Compound name
1-(propan-2-ylamino)-3-(2,4,5-trimethylphenoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

251.18852 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.195796 162.2
[M+Na]+ 274.177738 167.9
[M-H]- 250.181244 164.4
[M+NH4]+ 269.222343 179.0
[M+K]+ 290.151678 165.8
[M+H-H2O]+ 234.185780 155.8
[M+HCOO]- 296.186721 182.6
[M+CH3COO]- 310.202371 201.1
[M+Na-2H]- 272.163186 162.3
[M]+ 251.18797142 164.4
[M]- 251.18906858 164.4
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