CID 59676679

Cis-1-methyloctahydropyrrolo[3,4-b]pyridine

Structural Information

Molecular Formula
C8H16N2
SMILES
CN1CCC[C@H]2[C@@H]1CNC2
InChI
InChI=1S/C8H16N2/c1-10-4-2-3-7-5-9-6-8(7)10/h7-9H,2-6H2,1H3/t7-,8+/m1/s1
InChIKey
QVLUVOZDWSAEIP-SFYZADRCSA-N
Compound name
(4aR,7aR)-1-methyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
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 132.9
[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