CID 135616914

Chembl253951

Structural Information

Molecular Formula
C14H17NO3
SMILES
C1CCC(CC1)C(=O)O/N=C/C2=CC=C(C=C2)O
InChI
InChI=1S/C14H17NO3/c16-13-8-6-11(7-9-13)10-15-18-14(17)12-4-2-1-3-5-12/h6-10,12,16H,1-5H2/b15-10+
InChIKey
YWZBYSBZDQWXGQ-XNTDXEJSSA-N
Compound name
[(E)-(4-hydroxyphenyl)methylideneamino] cyclohexanecarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

9
Patents

247.12085 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.12813 155.6
[M+Na]+ 270.11007 159.4
[M-H]- 246.11357 161.2
[M+NH4]+ 265.15467 171.9
[M+K]+ 286.08401 157.1
[M+H-H2O]+ 230.11811 147.8
[M+HCOO]- 292.11905 176.7
[M+CH3COO]- 306.13470 193.1
[M+Na-2H]- 268.09552 159.2
[M]+ 247.12030 152.1
[M]- 247.12140 152.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe