CID 58438919

1228581-12-1

Structural Information

Molecular Formula
C10H16FNO4
SMILES
CC(C)(C)OC(=O)N1CC(C1)(CF)C(=O)O
InChI
InChI=1S/C10H16FNO4/c1-9(2,3)16-8(15)12-5-10(4-11,6-12)7(13)14/h4-6H2,1-3H3,(H,13,14)
InChIKey
VEHPOVZSFFEDCH-UHFFFAOYSA-N
Compound name
3-(fluoromethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

233.10634 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.11362 153.8
[M+Na]+ 256.09556 159.1
[M-H]- 232.09906 153.4
[M+NH4]+ 251.14016 165.2
[M+K]+ 272.06950 161.9
[M+H-H2O]+ 216.10360 143.6
[M+HCOO]- 278.10454 168.4
[M+CH3COO]- 292.12019 190.1
[M+Na-2H]- 254.08101 156.1
[M]+ 233.10579 162.6
[M]- 233.10689 162.6
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