CID 3060781

C 4205

Structural Information

Molecular Formula
C13H18N2O3
SMILES
CN1CCC(CC1)OC(=O)C2=C(C=C(C=C2)N)O
InChI
InChI=1S/C13H18N2O3/c1-15-6-4-10(5-7-15)18-13(17)11-3-2-9(14)8-12(11)16/h2-3,8,10,16H,4-7,14H2,1H3
InChIKey
DBJYCQWWKYUHPE-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-4-yl) 4-amino-2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.13174 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.139016 157.5
[M+Na]+ 273.120958 162.8
[M-H]- 249.124464 160.7
[M+NH4]+ 268.165563 172.0
[M+K]+ 289.094898 160.1
[M+H-H2O]+ 233.129000 149.7
[M+HCOO]- 295.129941 175.3
[M+CH3COO]- 309.145591 193.7
[M+Na-2H]- 271.106406 158.8
[M]+ 250.13119142 153.0
[M]- 250.13228858 153.0
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.