CID 1519490

(4as,7as)-6-methyl-octahydro-1h-pyrrolo[3,4-b]pyridine

Structural Information

Molecular Formula
C8H16N2
SMILES
CN1C[C@@H]2CCCN[C@@H]2C1
InChI
InChI=1S/C8H16N2/c1-10-5-7-3-2-4-9-8(7)6-10/h7-9H,2-6H2,1H3/t7-,8+/m0/s1
InChIKey
ACSQOHDWJKTBRH-JGVFFNPUSA-N
Compound name
(4aS,7aS)-6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

140.13135 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.13863 132.3
[M+Na]+ 163.12057 142.2
[M+NH4]+ 158.16517 141.5
[M+K]+ 179.09451 137.7
[M-H]- 139.12407 133.1
[M+Na-2H]- 161.10602 135.5
[M]+ 140.13080 133.6
[M]- 140.13190 133.6
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