CID 165986459

2763740-59-4

Structural Information

Molecular Formula
C11H16FNO4
SMILES
CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)C2(C(=O)O)F
InChI
InChI=1S/C11H16FNO4/c1-10(2,3)17-9(16)13-4-6-7(5-13)11(6,12)8(14)15/h6-7H,4-5H2,1-3H3,(H,14,15)/t6-,7+,11?
InChIKey
JUGGSYIWKMWFAE-NIAPBFKXSA-N
Compound name
(1R,5S)-6-fluoro-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.10634 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.11362 154.9
[M+Na]+ 268.09556 164.8
[M-H]- 244.09906 156.6
[M+NH4]+ 263.14016 170.6
[M+K]+ 284.06950 162.1
[M+H-H2O]+ 228.10360 150.7
[M+HCOO]- 290.10454 169.8
[M+CH3COO]- 304.12019 192.2
[M+Na-2H]- 266.08101 157.5
[M]+ 245.10579 158.5
[M]- 245.10689 158.5
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.