CID 66846272

1909288-61-4

Structural Information

Molecular Formula
C8H16N2
SMILES
CN1CC[C@@H]2CNC[C@@H]2C1
InChI
InChI=1S/C8H16N2/c1-10-3-2-7-4-9-5-8(7)6-10/h7-9H,2-6H2,1H3/t7-,8-/m1/s1
InChIKey
BNLKJYVQFIOOTE-HTQZYQBOSA-N
Compound name
(3aR,7aS)-5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

140.13135 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.138626 132.9
[M+Na]+ 163.120568 138.5
[M-H]- 139.124074 132.2
[M+NH4]+ 158.165173 153.8
[M+K]+ 179.094508 136.1
[M+H-H2O]+ 123.128610 126.1
[M+HCOO]- 185.129551 148.4
[M+CH3COO]- 199.145201 144.4
[M+Na-2H]- 161.106016 136.7
[M]+ 140.13080142 125.7
[M]- 140.13189858 125.7
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