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

182
Patents

125.12045 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.127726 128.1
[M+Na]+ 148.109668 134.1
[M-H]- 124.113174 127.7
[M+NH4]+ 143.154273 151.8
[M+K]+ 164.083608 131.7
[M+H-H2O]+ 108.117710 122.9
[M+HCOO]- 170.118651 144.8
[M+CH3COO]- 184.134301 140.5
[M+Na-2H]- 146.095116 133.1
[M]+ 125.11990142 122.3
[M]- 125.12099858 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