CID 4643225

Tert-butyl n-(10-bromodecyl)carbamate

Structural Information

Molecular Formula
C15H30BrNO2
SMILES
CC(C)(C)OC(=O)NCCCCCCCCCCBr
InChI
InChI=1S/C15H30BrNO2/c1-15(2,3)19-14(18)17-13-11-9-7-5-4-6-8-10-12-16/h4-13H2,1-3H3,(H,17,18)
InChIKey
OUQOWAUUYVRAFN-UHFFFAOYSA-N
Compound name
tert-butyl N-(10-bromodecyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

335.146 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.15328 180.4
[M+Na]+ 358.13522 187.1
[M-H]- 334.13872 181.9
[M+NH4]+ 353.17982 197.9
[M+K]+ 374.10916 175.4
[M+H-H2O]+ 318.14326 178.9
[M+HCOO]- 380.14420 197.8
[M+CH3COO]- 394.15985 209.9
[M+Na-2H]- 356.12067 183.1
[M]+ 335.14545 202.9
[M]- 335.14655 202.9
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