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]+ 279.170336 165.2
[M+Na]+ 301.152278 168.9
[M-H]- 277.155784 170.8
[M+NH4]+ 296.196883 180.2
[M+K]+ 317.126218 167.4
[M+H-H2O]+ 261.160320 157.4
[M+HCOO]- 323.161261 185.1
[M+CH3COO]- 337.176911 205.7
[M+Na-2H]- 299.137726 165.0
[M]+ 278.16251142 161.4
[M]- 278.16360858 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.