CID 4229290

Boc-11-aminoundecanoic acid

Structural Information

Molecular Formula
C16H31NO4
SMILES
CC(C)(C)OC(=O)NCCCCCCCCCCC(=O)O
InChI
InChI=1S/C16H31NO4/c1-16(2,3)21-15(20)17-13-11-9-7-5-4-6-8-10-12-14(18)19/h4-13H2,1-3H3,(H,17,20)(H,18,19)
InChIKey
HPTPZJBSQUULAV-UHFFFAOYSA-N
Compound name
11-[(2-methylpropan-2-yl)oxycarbonylamino]undecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

213
Patents

301.2253 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.23258 176.6
[M+Na]+ 324.21452 181.6
[M+NH4]+ 319.25912 180.1
[M+K]+ 340.18846 177.8
[M-H]- 300.21802 172.8
[M+Na-2H]- 322.19997 175.4
[M]+ 301.22475 175.7
[M]- 301.22585 175.7
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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