CID 584417

2-cyclohexanoyl-5,6,7,8-tetrahydroquinoxaline

Structural Information

Molecular Formula
C15H20N2O
SMILES
C1CCC(CC1)C(=O)C2=CN=C3CCCCC3=N2
InChI
InChI=1S/C15H20N2O/c18-15(11-6-2-1-3-7-11)14-10-16-12-8-4-5-9-13(12)17-14/h10-11H,1-9H2
InChIKey
NTUOMKIQUCIPBD-UHFFFAOYSA-N
Compound name
cyclohexyl(5,6,7,8-tetrahydroquinoxalin-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

244.15756 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.164836 157.8
[M+Na]+ 267.146778 160.9
[M-H]- 243.150284 160.5
[M+NH4]+ 262.191383 172.3
[M+K]+ 283.120718 157.1
[M+H-H2O]+ 227.154820 148.0
[M+HCOO]- 289.155761 171.0
[M+CH3COO]- 303.171411 166.9
[M+Na-2H]- 265.132226 161.3
[M]+ 244.15701142 150.0
[M]- 244.15810858 150.0
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

patents stripe