CID 130549457

2-{[(tert-butoxy)carbonyl]amino}-6-fluorohexanoic acid

Structural Information

Molecular Formula
C11H20FNO4
SMILES
CC(C)(C)OC(=O)NC(CCCCF)C(=O)O
InChI
InChI=1S/C11H20FNO4/c1-11(2,3)17-10(16)13-8(9(14)15)6-4-5-7-12/h8H,4-7H2,1-3H3,(H,13,16)(H,14,15)
InChIKey
LSXIFNCSRDKDFQ-UHFFFAOYSA-N
Compound name
6-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.13763 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.14491 158.1
[M+Na]+ 272.12685 162.4
[M-H]- 248.13035 155.1
[M+NH4]+ 267.17145 174.3
[M+K]+ 288.10079 162.2
[M+H-H2O]+ 232.13489 152.0
[M+HCOO]- 294.13583 175.6
[M+CH3COO]- 308.15148 194.3
[M+Na-2H]- 270.11230 158.8
[M]+ 249.13708 159.0
[M]- 249.13818 159.0
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.