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]+ 141.13863 132.9
[M+Na]+ 163.12057 138.5
[M-H]- 139.12407 132.2
[M+NH4]+ 158.16517 153.8
[M+K]+ 179.09451 136.1
[M+H-H2O]+ 123.12861 126.1
[M+HCOO]- 185.12955 148.4
[M+CH3COO]- 199.14520 144.4
[M+Na-2H]- 161.10602 136.7
[M]+ 140.13080 125.7
[M]- 140.13190 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