CID 10220049

Dtxsid801339010

Structural Information

Molecular Formula
C12H14N2O2
SMILES
C1[C@@H]2[C@@H](C2[N+](=O)[O-])CN1CC3=CC=CC=C3
InChI
InChI=1S/C12H14N2O2/c15-14(16)12-10-7-13(8-11(10)12)6-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2/t10-,11+,12?
InChIKey
GJYNUKYVXIQGQH-FOSCPWQOSA-N
Compound name
(1R,5S)-3-benzyl-6-nitro-3-azabicyclo[3.1.0]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

218.10553 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.11281 150.0
[M+Na]+ 241.09475 164.1
[M+NH4]+ 236.13935 159.7
[M+K]+ 257.06869 162.5
[M-H]- 217.09825 161.3
[M+Na-2H]- 239.08020 158.1
[M]+ 218.10498 156.2
[M]- 218.10608 156.2
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