CID 16221264

N-boc-undecane-1,11-diamine

Structural Information

Molecular Formula
C16H34N2O2
SMILES
CC(C)(C)OC(=O)NCCCCCCCCCCCN
InChI
InChI=1S/C16H34N2O2/c1-16(2,3)20-15(19)18-14-12-10-8-6-4-5-7-9-11-13-17/h4-14,17H2,1-3H3,(H,18,19)
InChIKey
BTKYLHCVXRGFLC-UHFFFAOYSA-N
Compound name
tert-butyl N-(11-aminoundecyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

286.26202 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.26930 177.9
[M+Na]+ 309.25124 179.9
[M-H]- 285.25474 176.1
[M+NH4]+ 304.29584 193.1
[M+K]+ 325.22518 178.0
[M+H-H2O]+ 269.25928 171.2
[M+HCOO]- 331.26022 198.0
[M+CH3COO]- 345.27587 208.7
[M+Na-2H]- 307.23669 178.6
[M]+ 286.26147 181.1
[M]- 286.26257 181.1
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