CID 4428132

Boc-12-ado-oh

Structural Information

Molecular Formula
C17H33NO4
SMILES
CC(C)(C)OC(=O)NCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C17H33NO4/c1-17(2,3)22-16(21)18-14-12-10-8-6-4-5-7-9-11-13-15(19)20/h4-14H2,1-3H3,(H,18,21)(H,19,20)
InChIKey
NNPOZNVKUHYVEJ-UHFFFAOYSA-N
Compound name
12-[(2-methylpropan-2-yl)oxycarbonylamino]dodecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

172
Patents

315.24097 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.24825 180.9
[M+Na]+ 338.23019 185.6
[M+NH4]+ 333.27479 184.2
[M+K]+ 354.20413 181.7
[M-H]- 314.23369 177.1
[M+Na-2H]- 336.21564 179.4
[M]+ 315.24042 179.9
[M]- 315.24152 179.9
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