CID 100756823

2307753-89-3

Structural Information

Molecular Formula
C8H16N2
SMILES
CN1CC[C@@H]2CC[C@H](C1)N2
InChI
InChI=1S/C8H16N2/c1-10-5-4-7-2-3-8(6-10)9-7/h7-9H,2-6H2,1H3/t7-,8+/m0/s1
InChIKey
NLRPLOMLCUJBET-JGVFFNPUSA-N
Compound name
(1R,6S)-3-methyl-3,9-diazabicyclo[4.2.1]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.13135 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.13863 127.5
[M+Na]+ 163.12057 135.2
[M+NH4]+ 158.16517 135.7
[M+K]+ 179.09451 132.9
[M-H]- 139.12407 127.1
[M+Na-2H]- 161.10602 130.0
[M]+ 140.13080 128.2
[M]- 140.13190 128.2
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.