CID 13034043

1-bromo-6-methoxyhexane

Structural Information

Molecular Formula
C7H15BrO
SMILES
COCCCCCCBr
InChI
InChI=1S/C7H15BrO/c1-9-7-5-3-2-4-6-8/h2-7H2,1H3
InChIKey
MRCKDGXKYBOAHJ-UHFFFAOYSA-N
Compound name
1-bromo-6-methoxyhexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

194.03062 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.03790 137.2
[M+Na]+ 217.01984 147.5
[M-H]- 193.02334 140.0
[M+NH4]+ 212.06444 160.4
[M+K]+ 232.99378 137.7
[M+H-H2O]+ 177.02788 137.8
[M+HCOO]- 239.02882 158.3
[M+CH3COO]- 253.04447 183.0
[M+Na-2H]- 215.00529 144.8
[M]+ 194.03007 158.5
[M]- 194.03117 158.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe