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]+ 251.13902 157.5
[M+Na]+ 273.12096 162.8
[M-H]- 249.12446 160.7
[M+NH4]+ 268.16556 172.0
[M+K]+ 289.09490 160.1
[M+H-H2O]+ 233.12900 149.7
[M+HCOO]- 295.12994 175.3
[M+CH3COO]- 309.14559 193.7
[M+Na-2H]- 271.10641 158.8
[M]+ 250.13119 153.0
[M]- 250.13229 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.