CID 132120482

2728725-64-0

Structural Information

Molecular Formula
C6H8FNO3
SMILES
CN1[C@@H](C[C@H](C1=O)F)C(=O)O
InChI
InChI=1S/C6H8FNO3/c1-8-4(6(10)11)2-3(7)5(8)9/h3-4H,2H2,1H3,(H,10,11)/t3-,4+/m1/s1
InChIKey
IZQDTWWMACMHQO-DMTCNVIQSA-N
Compound name
(2S,4R)-4-fluoro-1-methyl-5-oxopyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

161.04883 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.05611 128.6
[M+Na]+ 184.03805 137.7
[M-H]- 160.04155 128.7
[M+NH4]+ 179.08265 149.5
[M+K]+ 200.01199 136.5
[M+H-H2O]+ 144.04609 122.9
[M+HCOO]- 206.04703 148.1
[M+CH3COO]- 220.06268 174.5
[M+Na-2H]- 182.02350 129.9
[M]+ 161.04828 126.1
[M]- 161.04938 126.1
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