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]+ 126.12773 126.6
[M+Na]+ 148.10967 131.7
[M-H]- 124.11317 127.9
[M+NH4]+ 143.15427 143.3
[M+K]+ 164.08361 132.6
[M+H-H2O]+ 108.11771 117.0
[M+HCOO]- 170.11865 142.7
[M+CH3COO]- 184.13430 172.4
[M+Na-2H]- 146.09512 134.2
[M]+ 125.11990 129.5
[M]- 125.12100 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.