CID 23137658

906532-26-1

Structural Information

Molecular Formula
C15H25NO
SMILES
CC(C)N(CCC(C1=CC=CC=C1)O)C(C)C
InChI
InChI=1S/C15H25NO/c1-12(2)16(13(3)4)11-10-15(17)14-8-6-5-7-9-14/h5-9,12-13,15,17H,10-11H2,1-4H3
InChIKey
SXODMKSOGDHMMR-UHFFFAOYSA-N
Compound name
3-[di(propan-2-yl)amino]-1-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

235.19362 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.20090 160.7
[M+Na]+ 258.18284 163.6
[M-H]- 234.18634 163.3
[M+NH4]+ 253.22744 177.8
[M+K]+ 274.15678 162.6
[M+H-H2O]+ 218.19088 153.8
[M+HCOO]- 280.19182 180.5
[M+CH3COO]- 294.20747 199.8
[M+Na-2H]- 256.16829 160.8
[M]+ 235.19307 160.9
[M]- 235.19417 160.9
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.