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

137
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

literature stripe

Patent stripe

patents stripe