CID 137346995

1392499-33-0

Structural Information

Molecular Formula
C17H34BrNO7
SMILES
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCBr
InChI
InChI=1S/C17H34BrNO7/c1-17(2,3)26-16(20)19-5-7-22-9-11-24-13-15-25-14-12-23-10-8-21-6-4-18/h4-15H2,1-3H3,(H,19,20)
InChIKey
NQPCGFYLHACMDX-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

443.15186 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.15914 197.7
[M+Na]+ 466.14108 202.4
[M-H]- 442.14458 198.3
[M+NH4]+ 461.18568 231.8
[M+K]+ 482.11502 193.1
[M+H-H2O]+ 426.14912 194.4
[M+HCOO]- 488.15006 240.9
[M+CH3COO]- 502.16571 224.6
[M+Na-2H]- 464.12653 200.3
[M]+ 443.15131 227.3
[M]- 443.15241 227.3
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