CID 4206147

12-(t-boc-amino)-1-dodecyl bromide

Structural Information

Molecular Formula
C17H34BrNO2
SMILES
CC(C)(C)OC(=O)NCCCCCCCCCCCCBr
InChI
InChI=1S/C17H34BrNO2/c1-17(2,3)21-16(20)19-15-13-11-9-7-5-4-6-8-10-12-14-18/h4-15H2,1-3H3,(H,19,20)
InChIKey
NMEYVOTVGMXGKU-UHFFFAOYSA-N
Compound name
tert-butyl N-(12-bromododecyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

363.17728 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.18456 189.4
[M+Na]+ 386.16650 195.3
[M-H]- 362.17000 190.5
[M+NH4]+ 381.21110 205.8
[M+K]+ 402.14044 183.1
[M+H-H2O]+ 346.17454 187.5
[M+HCOO]- 408.17548 206.1
[M+CH3COO]- 422.19113 215.5
[M+Na-2H]- 384.15195 191.1
[M]+ 363.17673 212.5
[M]- 363.17783 212.5
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