CID 48979

67032-07-9

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]+ 306.206376 175.2
[M+Na]+ 328.188318 180.1
[M-H]- 304.191824 178.4
[M+NH4]+ 323.232923 188.3
[M+K]+ 344.162258 176.6
[M+H-H2O]+ 288.196360 166.9
[M+HCOO]- 350.197301 190.8
[M+CH3COO]- 364.212951 205.4
[M+Na-2H]- 326.173766 173.7
[M]+ 305.19855142 174.5
[M]- 305.19964858 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.