CID 89523

Brn 0960461

Structural Information

Molecular Formula
C16H24N2O
SMILES
C1CC2=CC=CC=C2N3C1CN(CC3)CCCCO
InChI
InChI=1S/C16H24N2O/c19-12-4-3-9-17-10-11-18-15(13-17)8-7-14-5-1-2-6-16(14)18/h1-2,5-6,15,19H,3-4,7-13H2
InChIKey
ZTKOUXVLEKOVEK-UHFFFAOYSA-N
Compound name
4-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

260.18887 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.19615 163.3
[M+Na]+ 283.17809 167.6
[M-H]- 259.18159 162.6
[M+NH4]+ 278.22269 178.4
[M+K]+ 299.15203 162.4
[M+H-H2O]+ 243.18613 154.3
[M+HCOO]- 305.18707 175.2
[M+CH3COO]- 319.20272 171.9
[M+Na-2H]- 281.16354 167.9
[M]+ 260.18832 158.5
[M]- 260.18942 158.5
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