CID 64311135

1379241-08-3

Structural Information

Molecular Formula
C16H21NO
SMILES
C1CCC(CC1)CN2CCC(=O)C3=CC=CC=C32
InChI
InChI=1S/C16H21NO/c18-16-10-11-17(12-13-6-2-1-3-7-13)15-9-5-4-8-14(15)16/h4-5,8-9,13H,1-3,6-7,10-12H2
InChIKey
YUCKGEKXPYQOBY-UHFFFAOYSA-N
Compound name
1-(cyclohexylmethyl)-2,3-dihydroquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.16231 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.169586 157.5
[M+Na]+ 266.151528 161.5
[M-H]- 242.155034 161.9
[M+NH4]+ 261.196133 173.9
[M+K]+ 282.125468 157.1
[M+H-H2O]+ 226.159570 148.7
[M+HCOO]- 288.160511 172.7
[M+CH3COO]- 302.176161 167.5
[M+Na-2H]- 264.136976 161.0
[M]+ 243.16176142 150.6
[M]- 243.16285858 150.6
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.