CID 258393

18283-36-8

Structural Information

Molecular Formula
C6H10FNO3
SMILES
CC(C)C(C(=O)N)(C(=O)O)F
InChI
InChI=1S/C6H10FNO3/c1-3(2)6(7,4(8)9)5(10)11/h3H,1-2H3,(H2,8,9)(H,10,11)
InChIKey
ZXJNLZYXUPULPR-UHFFFAOYSA-N
Compound name
2-carbamoyl-2-fluoro-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.06447 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07175 132.0
[M+Na]+ 186.05369 138.2
[M-H]- 162.05719 129.3
[M+NH4]+ 181.09829 151.2
[M+K]+ 202.02763 138.3
[M+H-H2O]+ 146.06173 126.9
[M+HCOO]- 208.06267 150.2
[M+CH3COO]- 222.07832 178.5
[M+Na-2H]- 184.03914 134.1
[M]+ 163.06392 128.7
[M]- 163.06502 128.7
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

No patent data available for this compound.