CID 29974540

1076199-21-7

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

148
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 178.4
[M+Na]+ 378.08865 175.6
[M+NH4]+ 373.13325 179.2
[M+K]+ 394.06259 177.3
[M-H]- 354.09215 174.2
[M+Na-2H]- 376.07410 175.5
[M]+ 355.09888 175.2
[M]- 355.09998 175.2
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