CID 45087841

473795-25-4

Structural Information

Molecular Formula
C8H16N2
SMILES
C[C@@H]1[C@H](C2CCN1CC2)N
InChI
InChI=1S/C8H16N2/c1-6-8(9)7-2-4-10(6)5-3-7/h6-8H,2-5,9H2,1H3/t6-,8-/m1/s1
InChIKey
NIBLFQFBAYHCQS-HTRCEHHLSA-N
Compound name
(2R,3S)-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 130.7
[M+Na]+ 163.12057 135.5
[M-H]- 139.12407 125.9
[M+NH4]+ 158.16517 155.3
[M+K]+ 179.09451 133.6
[M+H-H2O]+ 123.12861 126.1
[M+HCOO]- 185.12955 142.3
[M+CH3COO]- 199.14520 141.6
[M+Na-2H]- 161.10602 141.2
[M]+ 140.13080 128.8
[M]- 140.13190 128.8
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

No patent data available for this compound.