CID 112758291

1404196-37-7

Structural Information

Molecular Formula
C12H18FNO3
SMILES
CC(C)(C)OC(=O)N1C2CCC1C(C(=O)C2)F
InChI
InChI=1S/C12H18FNO3/c1-12(2,3)17-11(16)14-7-4-5-8(14)10(13)9(15)6-7/h7-8,10H,4-6H2,1-3H3
InChIKey
YYCAGVRICFXYHB-UHFFFAOYSA-N
Compound name
tert-butyl 2-fluoro-3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

243.12708 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.13436 155.5
[M+Na]+ 266.11630 162.8
[M-H]- 242.11980 155.6
[M+NH4]+ 261.16090 175.7
[M+K]+ 282.09024 161.1
[M+H-H2O]+ 226.12434 150.0
[M+HCOO]- 288.12528 169.7
[M+CH3COO]- 302.14093 192.9
[M+Na-2H]- 264.10175 157.2
[M]+ 243.12653 154.4
[M]- 243.12763 154.4
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