CID 58247368

1299466-02-6

Structural Information

Molecular Formula
C10H16FNO3
SMILES
CC(C)(C)OC(=O)N1C[C@@H](C[C@H]1C=O)F
InChI
InChI=1S/C10H16FNO3/c1-10(2,3)15-9(14)12-5-7(11)4-8(12)6-13/h6-8H,4-5H2,1-3H3/t7-,8+/m1/s1
InChIKey
PABLOPMZCFQFHB-SFYZADRCSA-N
Compound name
tert-butyl (2S,4R)-4-fluoro-2-formylpyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

217.11142 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.11870 147.3
[M+Na]+ 240.10064 154.9
[M-H]- 216.10414 148.3
[M+NH4]+ 235.14524 166.8
[M+K]+ 256.07458 154.2
[M+H-H2O]+ 200.10868 141.3
[M+HCOO]- 262.10962 165.6
[M+CH3COO]- 276.12527 186.3
[M+Na-2H]- 238.08609 148.7
[M]+ 217.11087 147.2
[M]- 217.11197 147.2
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