CID 45099409

3-methyl-octahydro-1h-pyrido[1,2-a]piperazine

Structural Information

Molecular Formula
C9H18N2
SMILES
CC1CN2CCCCC2CN1
InChI
InChI=1S/C9H18N2/c1-8-7-11-5-3-2-4-9(11)6-10-8/h8-10H,2-7H2,1H3
InChIKey
NFFVWTLRGWWYDK-UHFFFAOYSA-N
Compound name
3-methyl-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

1
References

1
Patents

154.147 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.154276 137.0
[M+Na]+ 177.136218 141.2
[M-H]- 153.139724 135.8
[M+NH4]+ 172.180823 155.5
[M+K]+ 193.110158 138.4
[M+H-H2O]+ 137.144260 129.7
[M+HCOO]- 199.145201 150.0
[M+CH3COO]- 213.160851 147.3
[M+Na-2H]- 175.121666 142.0
[M]+ 154.14645142 128.0
[M]- 154.14754858 128.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe