CID 89509

Brn 0019566

Structural Information

Molecular Formula
C14H18N2O
SMILES
CC(=O)N1CCN2C(C1)CCC3=CC=CC=C32
InChI
InChI=1S/C14H18N2O/c1-11(17)15-8-9-16-13(10-15)7-6-12-4-2-3-5-14(12)16/h2-5,13H,6-10H2,1H3
InChIKey
SAPAWHGNIMQFMR-UHFFFAOYSA-N
Compound name
1-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

230.1419 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.149176 153.2
[M+Na]+ 253.131118 158.9
[M-H]- 229.134624 154.5
[M+NH4]+ 248.175723 170.2
[M+K]+ 269.105058 155.0
[M+H-H2O]+ 213.139160 144.6
[M+HCOO]- 275.140101 166.6
[M+CH3COO]- 289.155751 163.4
[M+Na-2H]- 251.116566 158.2
[M]+ 230.14135142 148.2
[M]- 230.14244858 148.2
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