CID 209587

20014-01-1

Structural Information

Molecular Formula
C15H26N2O
SMILES
CC1=CC(=C(C(=C1)C)NCC(CNC(C)C)O)C
InChI
InChI=1S/C15H26N2O/c1-10(2)16-8-14(18)9-17-15-12(4)6-11(3)7-13(15)5/h6-7,10,14,16-18H,8-9H2,1-5H3
InChIKey
HGFMRABXXKFSGP-UHFFFAOYSA-N
Compound name
1-(propan-2-ylamino)-3-(2,4,6-trimethylanilino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.20451 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.211786 163.6
[M+Na]+ 273.193728 168.5
[M-H]- 249.197234 165.8
[M+NH4]+ 268.238333 180.2
[M+K]+ 289.167668 165.9
[M+H-H2O]+ 233.201770 157.0
[M+HCOO]- 295.202711 184.8
[M+CH3COO]- 309.218361 204.1
[M+Na-2H]- 271.179176 163.9
[M]+ 250.20396142 163.6
[M]- 250.20505858 163.6
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.