CID 102575

2-methyl-1,4-diazabicyclo[2.2.2]octane

Structural Information

Molecular Formula
C7H14N2
SMILES
CC1CN2CCN1CC2
InChI
InChI=1S/C7H14N2/c1-7-6-8-2-4-9(7)5-3-8/h7H,2-6H2,1H3
InChIKey
QXKMWFFBWDHDCB-UHFFFAOYSA-N
Compound name
2-methyl-1,4-diazabicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

329
Patents

126.1157 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.12298 124.5
[M+Na]+ 149.10492 135.6
[M+NH4]+ 144.14952 135.8
[M+K]+ 165.07886 128.4
[M-H]- 125.10842 122.6
[M+Na-2H]- 147.09037 123.8
[M]+ 126.11515 125.5
[M]- 126.11625 125.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe