CID 67017718

1645565-08-7

Structural Information

Molecular Formula
C11H18FNO4
SMILES
C[C@]1(C[C@@H](CN1C(=O)OC(C)(C)C)F)C(=O)O
InChI
InChI=1S/C11H18FNO4/c1-10(2,3)17-9(16)13-6-7(12)5-11(13,4)8(14)15/h7H,5-6H2,1-4H3,(H,14,15)/t7-,11-/m0/s1
InChIKey
AMYPRFPCITYLTA-CPCISQLKSA-N
Compound name
(2S,4S)-4-fluoro-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

247.12198 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.12926 152.8
[M+Na]+ 270.11120 160.1
[M-H]- 246.11470 152.6
[M+NH4]+ 265.15580 172.3
[M+K]+ 286.08514 159.6
[M+H-H2O]+ 230.11924 148.2
[M+HCOO]- 292.12018 168.5
[M+CH3COO]- 306.13583 189.3
[M+Na-2H]- 268.09665 153.8
[M]+ 247.12143 152.4
[M]- 247.12253 152.4
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