CID 217662

Pyran, 3-bromo-2-ethoxy-tetrahydro-

Structural Information

Molecular Formula
C7H13BrO2
SMILES
CCOC1C(CCCO1)Br
InChI
InChI=1S/C7H13BrO2/c1-2-9-7-6(8)4-3-5-10-7/h6-7H,2-5H2,1H3
InChIKey
MKDZXJPQACWMSP-UHFFFAOYSA-N
Compound name
3-bromo-2-ethoxyoxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.00989 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.017166 138.7
[M+Na]+ 230.999108 148.0
[M-H]- 207.002614 144.9
[M+NH4]+ 226.043713 159.9
[M+K]+ 246.973048 139.9
[M+H-H2O]+ 191.007150 139.1
[M+HCOO]- 253.008091 156.7
[M+CH3COO]- 267.023741 182.1
[M+Na-2H]- 228.984556 146.1
[M]+ 208.00934142 156.0
[M]- 208.01043858 156.0
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

No patent data available for this compound.