CID 209600

1-(isopropylamino)-3-(mesityloxy)-2-propanol

Structural Information

Molecular Formula
C15H25NO2
SMILES
CC1=CC(=C(C(=C1)C)OCC(CNC(C)C)O)C
InChI
InChI=1S/C15H25NO2/c1-10(2)16-8-14(17)9-18-15-12(4)6-11(3)7-13(15)5/h6-7,10,14,16-17H,8-9H2,1-5H3
InChIKey
ZGPYIQZBRLKFQS-UHFFFAOYSA-N
Compound name
1-(propan-2-ylamino)-3-(2,4,6-trimethylphenoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

251.18852 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.19580 162.2
[M+Na]+ 274.17774 167.9
[M-H]- 250.18124 164.4
[M+NH4]+ 269.22234 179.0
[M+K]+ 290.15168 165.8
[M+H-H2O]+ 234.18578 155.8
[M+HCOO]- 296.18672 182.6
[M+CH3COO]- 310.20237 201.1
[M+Na-2H]- 272.16319 162.3
[M]+ 251.18797 164.4
[M]- 251.18907 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