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

177
Patents

315.24097 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.248246 183.1
[M+Na]+ 338.230188 185.0
[M-H]- 314.233694 180.3
[M+NH4]+ 333.274793 196.8
[M+K]+ 354.204128 183.3
[M+H-H2O]+ 298.238230 176.7
[M+HCOO]- 360.239171 200.6
[M+CH3COO]- 374.254821 208.7
[M+Na-2H]- 336.215636 182.6
[M]+ 315.24042142 188.2
[M]- 315.24151858 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