CID 21423571

Schembl11674716

Structural Information

Molecular Formula

C₁₃H₁₇NO₃

SMILES

C1CCC(CC1)OC(=O)C2=C(C=C(C=C2)N)O

InChI

InChI=1S/C13H17NO3/c14-9-6-7-11(12(15)8-9)13(16)17-10-4-2-1-3-5-10/h6-8,10,15H,1-5,14H2

InChIKey

ZMJSNTUTBMJKDL-UHFFFAOYSA-N

Compound name

cyclohexyl 4-amino-2-hydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 235.12085 Da
Monoisotopic Mass: 3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	236.12813	152.9
[M+Na]+	258.11007	157.3
[M-H]-	234.11357	157.1
[M+NH4]+	253.15467	169.0
[M+K]+	274.08401	154.6
[M+H-H2O]+	218.11811	145.8
[M+HCOO]-	280.11905	172.0
[M+CH3COO]-	294.13470	189.8
[M+Na-2H]-	256.09552	154.7
[M]+	235.12030	147.4
[M]-	235.12140	147.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe