CID 98661

29777-42-2

Structural Information

Molecular Formula
C16H17NO2
SMILES
C1CCN(CC1)C(=O)C2=C(C3=CC=CC=C3C=C2)O
InChI
InChI=1S/C16H17NO2/c18-15-13-7-3-2-6-12(13)8-9-14(15)16(19)17-10-4-1-5-11-17/h2-3,6-9,18H,1,4-5,10-11H2
InChIKey
FQCIVXJPSZVUCI-UHFFFAOYSA-N
Compound name
(1-hydroxynaphthalen-2-yl)-piperidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

10
Patents

255.12593 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.13321 158.3
[M+Na]+ 278.11515 163.6
[M-H]- 254.11865 162.3
[M+NH4]+ 273.15975 173.7
[M+K]+ 294.08909 159.1
[M+H-H2O]+ 238.12319 149.9
[M+HCOO]- 300.12413 174.2
[M+CH3COO]- 314.13978 168.6
[M+Na-2H]- 276.10060 162.4
[M]+ 255.12538 153.3
[M]- 255.12648 153.3
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