CID 137964503

2307782-89-2

Structural Information

Molecular Formula
C9H15NO2
SMILES
COC(=O)[C@]12CC[C@H]1CCCN2
InChI
InChI=1S/C9H15NO2/c1-12-8(11)9-5-4-7(9)3-2-6-10-9/h7,10H,2-6H2,1H3/t7-,9+/m1/s1
InChIKey
CHXXHXOYFUVPOG-APPZFPTMSA-N
Compound name
methyl (1S,6R)-2-azabicyclo[4.2.0]octane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.11028 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.11756 137.4
[M+Na]+ 192.09950 141.7
[M-H]- 168.10300 138.4
[M+NH4]+ 187.14410 152.0
[M+K]+ 208.07344 143.3
[M+H-H2O]+ 152.10754 127.3
[M+HCOO]- 214.10848 152.6
[M+CH3COO]- 228.12413 178.6
[M+Na-2H]- 190.08495 143.1
[M]+ 169.10973 142.0
[M]- 169.11083 142.0
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.