CID 4428132

N-t-butyloxycarbonyl-12-amino-dodecanoic acid

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

180
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 183.1
[M+Na]+ 338.23019 185.0
[M-H]- 314.23369 180.3
[M+NH4]+ 333.27479 196.8
[M+K]+ 354.20413 183.3
[M+H-H2O]+ 298.23823 176.7
[M+HCOO]- 360.23917 200.6
[M+CH3COO]- 374.25482 208.7
[M+Na-2H]- 336.21564 182.6
[M]+ 315.24042 188.2
[M]- 315.24152 188.2
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