CID 145913258

Ethyl 5-fluoro-2-methoxy-3-azabicyclo[3.1.1]hept-2-ene-1-carboxylate

Structural Information

Molecular Formula
C10H14FNO3
SMILES
CCOC(=O)C12CC(C1)(CN=C2OC)F
InChI
InChI=1S/C10H14FNO3/c1-3-15-8(13)10-4-9(11,5-10)6-12-7(10)14-2/h3-6H2,1-2H3
InChIKey
AETNDUBQGLNLLE-UHFFFAOYSA-N
Compound name
ethyl 5-fluoro-2-methoxy-3-azabicyclo[3.1.1]hept-2-ene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.09576 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.10304 158.8
[M+Na]+ 238.08498 165.5
[M-H]- 214.08848 155.8
[M+NH4]+ 233.12958 177.7
[M+K]+ 254.05892 167.2
[M+H-H2O]+ 198.09302 149.1
[M+HCOO]- 260.09396 170.7
[M+CH3COO]- 274.10961 192.7
[M+Na-2H]- 236.07043 168.8
[M]+ 215.09521 172.9
[M]- 215.09631 172.9
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.