CID 29974540

Tert-butyl n-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethyl]carbamate

Structural Information

Molecular Formula
C13H26BrNO5
SMILES
CC(C)(C)OC(=O)NCCOCCOCCOCCBr
InChI
InChI=1S/C13H26BrNO5/c1-13(2,3)20-12(16)15-5-7-18-9-11-19-10-8-17-6-4-14/h4-11H2,1-3H3,(H,15,16)
InChIKey
GNDQONYTPMGMTM-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

122
Patents

355.09943 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.106706 177.2
[M+Na]+ 378.088648 184.2
[M-H]- 354.092154 178.9
[M+NH4]+ 373.133253 193.6
[M+K]+ 394.062588 174.6
[M+H-H2O]+ 338.096690 175.3
[M+HCOO]- 400.097631 195.8
[M+CH3COO]- 414.113281 209.9
[M+Na-2H]- 376.074096 181.4
[M]+ 355.09888142 202.9
[M]- 355.09997858 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