CID 46737272

171348-52-0

Structural Information

Molecular Formula
C10H18FNO4
SMILES
CC(C)(C)OC(=O)NC(C(=O)O)C(C)(C)F
InChI
InChI=1S/C10H18FNO4/c1-9(2,3)16-8(15)12-6(7(13)14)10(4,5)11/h6H,1-5H3,(H,12,15)(H,13,14)
InChIKey
OFCALSFZTOBZCI-UHFFFAOYSA-N
Compound name
3-fluoro-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

235.12198 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.12926 151.3
[M+Na]+ 258.11120 156.4
[M-H]- 234.11470 148.9
[M+NH4]+ 253.15580 168.2
[M+K]+ 274.08514 157.1
[M+H-H2O]+ 218.11924 146.2
[M+HCOO]- 280.12018 167.6
[M+CH3COO]- 294.13583 191.7
[M+Na-2H]- 256.09665 153.8
[M]+ 235.12143 151.3
[M]- 235.12253 151.3
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