CID 49069

O-hydroxybenzoic acid 3-(2,3-dimethylpiperidino)propyl ester hydrochloride

Structural Information

Molecular Formula
C17H25NO3
SMILES
CC1CCCN(C1C)CCCOC(=O)C2=CC=CC=C2O
InChI
InChI=1S/C17H25NO3/c1-13-7-5-10-18(14(13)2)11-6-12-21-17(20)15-8-3-4-9-16(15)19/h3-4,8-9,13-14,19H,5-7,10-12H2,1-2H3
InChIKey
NNWQLMYNFKCOAC-UHFFFAOYSA-N
Compound name
3-(2,3-dimethylpiperidin-1-yl)propyl 2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.18344 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.19072 171.0
[M+Na]+ 314.17266 175.4
[M-H]- 290.17616 174.0
[M+NH4]+ 309.21726 184.4
[M+K]+ 330.14660 172.1
[M+H-H2O]+ 274.18070 162.7
[M+HCOO]- 336.18164 187.0
[M+CH3COO]- 350.19729 201.2
[M+Na-2H]- 312.15811 170.7
[M]+ 291.18289 169.6
[M]- 291.18399 169.6
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.