CID 545139

Tert-butyl 11-aminoundecanoate

Structural Information

Molecular Formula
C15H31NO2
SMILES
CC(C)(C)OC(=O)CCCCCCCCCCN
InChI
InChI=1S/C15H31NO2/c1-15(2,3)18-14(17)12-10-8-6-4-5-7-9-11-13-16/h4-13,16H2,1-3H3
InChIKey
LEMMJNALIIDDRY-UHFFFAOYSA-N
Compound name
tert-butyl 11-aminoundecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

257.23547 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.242746 169.9
[M+Na]+ 280.224688 173.2
[M-H]- 256.228194 168.4
[M+NH4]+ 275.269293 186.7
[M+K]+ 296.198628 171.5
[M+H-H2O]+ 240.232730 164.0
[M+HCOO]- 302.233671 189.4
[M+CH3COO]- 316.249321 201.4
[M+Na-2H]- 278.210136 170.8
[M]+ 257.23492142 173.7
[M]- 257.23601858 173.7
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