CID 209604

1-(carvacryloxy)-3-(isopropylamino)-2-propanol hydrochloride

Structural Information

Molecular Formula
C16H27NO2
SMILES
CC1=C(C=C(C=C1)C(C)C)OCC(CNC(C)C)O
InChI
InChI=1S/C16H27NO2/c1-11(2)14-7-6-13(5)16(8-14)19-10-15(18)9-17-12(3)4/h6-8,11-12,15,17-18H,9-10H2,1-5H3
InChIKey
MPTBWXBPTHNOQV-UHFFFAOYSA-N
Compound name
1-(2-methyl-5-propan-2-ylphenoxy)-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.2042 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.21148 167.5
[M+Na]+ 288.19342 171.6
[M-H]- 264.19692 169.2
[M+NH4]+ 283.23802 183.4
[M+K]+ 304.16736 169.7
[M+H-H2O]+ 248.20146 160.8
[M+HCOO]- 310.20240 186.6
[M+CH3COO]- 324.21805 203.7
[M+Na-2H]- 286.17887 166.5
[M]+ 265.20365 169.0
[M]- 265.20475 169.0
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.