CID 546215

Boc-8-aoc-oh

Structural Information

Molecular Formula
C13H25NO4
SMILES
CC(C)(C)OC(=O)NCCCCCCCC(=O)O
InChI
InChI=1S/C13H25NO4/c1-13(2,3)18-12(17)14-10-8-6-4-5-7-9-11(15)16/h4-10H2,1-3H3,(H,14,17)(H,15,16)
InChIKey
FPRZYWCRQHFPSX-UHFFFAOYSA-N
Compound name
8-[(2-methylpropan-2-yl)oxycarbonylamino]octanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

405
Patents

259.17834 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.18562 163.7
[M+Na]+ 282.16756 169.3
[M+NH4]+ 277.21216 167.7
[M+K]+ 298.14150 166.2
[M-H]- 258.17106 160.0
[M+Na-2H]- 280.15301 163.2
[M]+ 259.17779 162.9
[M]- 259.17889 162.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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