CID 3060777

78280-31-6

Structural Information

Molecular Formula
C15H22N2O3
SMILES
CN(C)C1CCCCC1OC(=O)C2=C(C=C(C=C2)N)O
InChI
InChI=1S/C15H22N2O3/c1-17(2)12-5-3-4-6-14(12)20-15(19)11-8-7-10(16)9-13(11)18/h7-9,12,14,18H,3-6,16H2,1-2H3
InChIKey
DYZKHUPHFRSPBJ-UHFFFAOYSA-N
Compound name
[2-(dimethylamino)cyclohexyl] 4-amino-2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.16306 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.17034 165.2
[M+Na]+ 301.15228 168.9
[M-H]- 277.15578 170.8
[M+NH4]+ 296.19688 180.2
[M+K]+ 317.12622 167.4
[M+H-H2O]+ 261.16032 157.4
[M+HCOO]- 323.16126 185.1
[M+CH3COO]- 337.17691 205.7
[M+Na-2H]- 299.13773 165.0
[M]+ 278.16251 161.4
[M]- 278.16361 161.4
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.