CID 125448989

Rac-(1r,6r)-6-methyl-7-azabicyclo[4.2.0]octane

Structural Information

Molecular Formula
C8H15N
SMILES
C[C@]12CCCC[C@H]1CN2
InChI
InChI=1S/C8H15N/c1-8-5-3-2-4-7(8)6-9-8/h7,9H,2-6H2,1H3/t7-,8-/m0/s1
InChIKey
VUCGTYYXVCIUPD-YUMQZZPRSA-N
Compound name
(1S,6S)-6-methyl-7-azabicyclo[4.2.0]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

125.12045 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.127726 126.6
[M+Na]+ 148.109668 131.7
[M-H]- 124.113174 127.9
[M+NH4]+ 143.154273 143.3
[M+K]+ 164.083608 132.6
[M+H-H2O]+ 108.117710 117.0
[M+HCOO]- 170.118651 142.7
[M+CH3COO]- 184.134301 172.4
[M+Na-2H]- 146.095116 134.2
[M]+ 125.11990142 129.5
[M]- 125.12099858 129.5
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.