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

26
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

literature stripe

Patent stripe

patents stripe