CID 168442745

156856-52-9

Structural Information

Molecular Formula
C15H28N2O2
SMILES
CC(C)(C)CC(=O)N1CCN2C[C@@H](CC[C@H]2C1)CO
InChI
InChI=1S/C15H28N2O2/c1-15(2,3)8-14(19)17-7-6-16-9-12(11-18)4-5-13(16)10-17/h12-13,18H,4-11H2,1-3H3/t12-,13+/m1/s1
InChIKey
SQDSSCMEVZZKDN-OLZOCXBDSA-N
Compound name
1-[(7R,9aS)-7-(hydroxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-3,3-dimethylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.2151 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.22238 169.3
[M+Na]+ 291.20432 172.3
[M-H]- 267.20782 167.8
[M+NH4]+ 286.24892 183.5
[M+K]+ 307.17826 169.6
[M+H-H2O]+ 251.21236 162.0
[M+HCOO]- 313.21330 178.3
[M+CH3COO]- 327.22895 197.0
[M+Na-2H]- 289.18977 170.3
[M]+ 268.21455 163.8
[M]- 268.21565 163.8
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

No patent data available for this compound.