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

2
Patents

230.1419 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.14918 153.9
[M+Na]+ 253.13112 166.7
[M+NH4]+ 248.17572 163.2
[M+K]+ 269.10506 159.2
[M-H]- 229.13462 156.3
[M+Na-2H]- 251.11657 158.5
[M]+ 230.14135 156.3
[M]- 230.14245 156.3
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