CID 5747670

Epiboxidine

Structural Information

Molecular Formula
C10H14N2O
SMILES
CC1=NOC(=C1)[C@H]2C[C@@H]3CC[C@H]2N3
InChI
InChI=1S/C10H14N2O/c1-6-4-10(13-12-6)8-5-7-2-3-9(8)11-7/h4,7-9,11H,2-3,5H2,1H3/t7-,8-,9+/m0/s1
InChIKey
GEEFPQBPVBFCSD-XHNCKOQMSA-N
Compound name
5-[(1R,2S,4S)-7-azabicyclo[2.2.1]heptan-2-yl]-3-methyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

148
Patents

178.11061 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.11789 139.0
[M+Na]+ 201.09983 147.2
[M-H]- 177.10333 142.3
[M+NH4]+ 196.14443 161.4
[M+K]+ 217.07377 145.7
[M+H-H2O]+ 161.10787 133.6
[M+HCOO]- 223.10881 157.7
[M+CH3COO]- 237.12446 152.1
[M+Na-2H]- 199.08528 140.6
[M]+ 178.11006 137.8
[M]- 178.11116 137.8
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.