CID 48979

Benzoic acid, o-hydroxy-, 3-(2,4,6-trimethylpiperidino)propyl ester, hydrochloride

Structural Information

Molecular Formula
C18H27NO3
SMILES
CC1CC(N(C(C1)C)CCCOC(=O)C2=CC=CC=C2O)C
InChI
InChI=1S/C18H27NO3/c1-13-11-14(2)19(15(3)12-13)9-6-10-22-18(21)16-7-4-5-8-17(16)20/h4-5,7-8,13-15,20H,6,9-12H2,1-3H3
InChIKey
DHTNOQGYYLQMPF-UHFFFAOYSA-N
Compound name
3-(2,4,6-trimethylpiperidin-1-yl)propyl 2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.1991 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.20638 175.2
[M+Na]+ 328.18832 180.1
[M-H]- 304.19182 178.4
[M+NH4]+ 323.23292 188.3
[M+K]+ 344.16226 176.6
[M+H-H2O]+ 288.19636 166.9
[M+HCOO]- 350.19730 190.8
[M+CH3COO]- 364.21295 205.4
[M+Na-2H]- 326.17377 173.7
[M]+ 305.19855 174.5
[M]- 305.19965 174.5
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.