CID 773776

179605-63-1

Structural Information

Molecular Formula
C8H16N2
SMILES
C1CCN2CCNC[C@@H]2C1
InChI
InChI=1S/C8H16N2/c1-2-5-10-6-4-9-7-8(10)3-1/h8-9H,1-7H2/t8-/m0/s1
InChIKey
ONHPOXROAPYCGT-QMMMGPOBSA-N
Compound name
(9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2058
Patents

140.13135 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.138626 132.2
[M+Na]+ 163.120568 135.8
[M-H]- 139.124074 130.8
[M+NH4]+ 158.165173 150.8
[M+K]+ 179.094508 133.4
[M+H-H2O]+ 123.128610 124.8
[M+HCOO]- 185.129551 145.5
[M+CH3COO]- 199.145201 142.6
[M+Na-2H]- 161.106016 138.5
[M]+ 140.13080142 122.4
[M]- 140.13189858 122.4
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