CID 88853548

N-boc-peg4-bromide

Structural Information

Molecular Formula
C15H30BrNO6
SMILES
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCBr
InChI
InChI=1S/C15H30BrNO6/c1-15(2,3)23-14(18)17-5-7-20-9-11-22-13-12-21-10-8-19-6-4-16/h4-13H2,1-3H3,(H,17,18)
InChIKey
KYOVSWOWVSWAII-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

399.12564 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.13292 187.6
[M+Na]+ 422.11486 193.5
[M-H]- 398.11836 188.8
[M+NH4]+ 417.15946 202.2
[M+K]+ 438.08880 184.0
[M+H-H2O]+ 382.12290 185.0
[M+HCOO]- 444.12384 205.7
[M+CH3COO]- 458.13949 217.3
[M+Na-2H]- 420.10031 191.0
[M]+ 399.12509 215.3
[M]- 399.12619 215.3
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