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 153.2
[M+Na]+ 253.13112 158.9
[M-H]- 229.13462 154.5
[M+NH4]+ 248.17572 170.2
[M+K]+ 269.10506 155.0
[M+H-H2O]+ 213.13916 144.6
[M+HCOO]- 275.14010 166.6
[M+CH3COO]- 289.15575 163.4
[M+Na-2H]- 251.11657 158.2
[M]+ 230.14135 148.2
[M]- 230.14245 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