CID 3704946

1-bromo-11-(1-ethoxyethoxy)undecane

Structural Information

Molecular Formula
C15H31BrO2
SMILES
CCOC(C)OCCCCCCCCCCCBr
InChI
InChI=1S/C15H31BrO2/c1-3-17-15(2)18-14-12-10-8-6-4-5-7-9-11-13-16/h15H,3-14H2,1-2H3
InChIKey
ZCJSUBNAWABAJW-UHFFFAOYSA-N
Compound name
1-bromo-11-(1-ethoxyethoxy)undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

322.15073 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.15801 177.5
[M+Na]+ 345.13995 184.3
[M-H]- 321.14345 178.8
[M+NH4]+ 340.18455 195.7
[M+K]+ 361.11389 173.2
[M+H-H2O]+ 305.14799 176.2
[M+HCOO]- 367.14893 195.3
[M+CH3COO]- 381.16458 207.7
[M+Na-2H]- 343.12540 179.4
[M]+ 322.15018 202.2
[M]- 322.15128 202.2
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