CID 6331532

Nsc687002

Structural Information

Molecular Formula
C19H25NO2
SMILES
C1CCN(CC1)CC2CCC/C(=C/C3=CC=C(C=C3)O)/C2=O
InChI
InChI=1S/C19H25NO2/c21-18-9-7-15(8-10-18)13-16-5-4-6-17(19(16)22)14-20-11-2-1-3-12-20/h7-10,13,17,21H,1-6,11-12,14H2/b16-13-
InChIKey
VQLDGNPJEQIDME-SSZFMOIBSA-N
Compound name
(2Z)-2-[(4-hydroxyphenyl)methylidene]-6-(piperidin-1-ylmethyl)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.18854 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.19582 174.2
[M+Na]+ 322.17776 176.6
[M-H]- 298.18126 179.2
[M+NH4]+ 317.22236 186.4
[M+K]+ 338.15170 171.0
[M+H-H2O]+ 282.18580 164.6
[M+HCOO]- 344.18674 187.4
[M+CH3COO]- 358.20239 200.6
[M+Na-2H]- 320.16321 173.3
[M]+ 299.18799 164.8
[M]- 299.18909 164.8
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.