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

149
Patents

355.09943 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.10671 177.2
[M+Na]+ 378.08865 184.2
[M-H]- 354.09215 178.9
[M+NH4]+ 373.13325 193.6
[M+K]+ 394.06259 174.6
[M+H-H2O]+ 338.09669 175.3
[M+HCOO]- 400.09763 195.8
[M+CH3COO]- 414.11328 209.9
[M+Na-2H]- 376.07410 181.4
[M]+ 355.09888 202.9
[M]- 355.09998 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