CID 20659822

3-methyl-8-azabicyclo[3.2.1]octane

Structural Information

Molecular Formula
C8H15N
SMILES
CC1CC2CCC(C1)N2
InChI
InChI=1S/C8H15N/c1-6-4-7-2-3-8(5-6)9-7/h6-9H,2-5H2,1H3
InChIKey
CPTOIRJUTARRLY-UHFFFAOYSA-N
Compound name
3-methyl-8-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

181
Patents

125.12045 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.12773 128.1
[M+Na]+ 148.10967 134.1
[M-H]- 124.11317 127.7
[M+NH4]+ 143.15427 151.8
[M+K]+ 164.08361 131.7
[M+H-H2O]+ 108.11771 122.9
[M+HCOO]- 170.11865 144.8
[M+CH3COO]- 184.13430 140.5
[M+Na-2H]- 146.09512 133.1
[M]+ 125.11990 122.3
[M]- 125.12100 122.3
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