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

22
Patents

257.23547 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.24275 169.9
[M+Na]+ 280.22469 173.2
[M-H]- 256.22819 168.4
[M+NH4]+ 275.26929 186.7
[M+K]+ 296.19863 171.5
[M+H-H2O]+ 240.23273 164.0
[M+HCOO]- 302.23367 189.4
[M+CH3COO]- 316.24932 201.4
[M+Na-2H]- 278.21014 170.8
[M]+ 257.23492 173.7
[M]- 257.23602 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