CID 12378900

3-methyl-3,8-diazabicyclo[3.2.1]octane

Structural Information

Molecular Formula
C7H14N2
SMILES
CN1CC2CCC(C1)N2
InChI
InChI=1S/C7H14N2/c1-9-4-6-2-3-7(5-9)8-6/h6-8H,2-5H2,1H3
InChIKey
OQMSHITZFTVBHN-UHFFFAOYSA-N
Compound name
3-methyl-3,8-diazabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

519
Patents

126.1157 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.12298 128.2
[M+Na]+ 149.10492 134.7
[M-H]- 125.10842 126.4
[M+NH4]+ 144.14952 150.5
[M+K]+ 165.07886 132.5
[M+H-H2O]+ 109.11296 122.1
[M+HCOO]- 171.11390 144.0
[M+CH3COO]- 185.12955 140.3
[M+Na-2H]- 147.09037 133.6
[M]+ 126.11515 122.7
[M]- 126.11625 122.7
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