CID 2777988

2-(3-bromopropoxy)tetrahydro-2h-pyran

Structural Information

Molecular Formula
C8H15BrO2
SMILES
C1CCOC(C1)OCCCBr
InChI
InChI=1S/C8H15BrO2/c9-5-3-7-11-8-4-1-2-6-10-8/h8H,1-7H2
InChIKey
HJNHUFQGDJLQRS-UHFFFAOYSA-N
Compound name
2-(3-bromopropoxy)oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2182
Patents

222.02554 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.03282 143.8
[M+Na]+ 245.01476 151.8
[M-H]- 221.01826 149.5
[M+NH4]+ 240.05936 164.2
[M+K]+ 260.98870 143.6
[M+H-H2O]+ 205.02280 143.9
[M+HCOO]- 267.02374 161.5
[M+CH3COO]- 281.03939 183.9
[M+Na-2H]- 243.00021 151.3
[M]+ 222.02499 161.2
[M]- 222.02609 161.2
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

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