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]+ 269.222376 169.3
[M+Na]+ 291.204318 172.3
[M-H]- 267.207824 167.8
[M+NH4]+ 286.248923 183.5
[M+K]+ 307.178258 169.6
[M+H-H2O]+ 251.212360 162.0
[M+HCOO]- 313.213301 178.3
[M+CH3COO]- 327.228951 197.0
[M+Na-2H]- 289.189766 170.3
[M]+ 268.21455142 163.8
[M]- 268.21564858 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.