CID 53249784

Tert-butyl 3-fluoro-4-hydroxypyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C9H16FNO3
SMILES
CC(C)(C)OC(=O)N1CC(C(C1)F)O
InChI
InChI=1S/C9H16FNO3/c1-9(2,3)14-8(13)11-4-6(10)7(12)5-11/h6-7,12H,4-5H2,1-3H3
InChIKey
KTBDFQPHEPDHQW-UHFFFAOYSA-N
Compound name
tert-butyl 3-fluoro-4-hydroxypyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

228
Patents

205.11142 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11870 145.0
[M+Na]+ 228.10064 152.2
[M-H]- 204.10414 144.7
[M+NH4]+ 223.14524 164.3
[M+K]+ 244.07458 151.5
[M+H-H2O]+ 188.10868 139.2
[M+HCOO]- 250.10962 161.8
[M+CH3COO]- 264.12527 181.6
[M+Na-2H]- 226.08609 146.3
[M]+ 205.11087 143.2
[M]- 205.11197 143.2
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