CID 126973471

2-(bromomethyl)-1,7-dioxaspiro[4.4]nonane

Structural Information

Molecular Formula
C8H13BrO2
SMILES
C1CC2(CCOC2)OC1CBr
InChI
InChI=1S/C8H13BrO2/c9-5-7-1-2-8(11-7)3-4-10-6-8/h7H,1-6H2
InChIKey
QKAURQGZXCJRCG-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-1,7-dioxaspiro[4.4]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.00989 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.017166 146.6
[M+Na]+ 242.999108 156.6
[M-H]- 219.002614 155.5
[M+NH4]+ 238.043713 171.3
[M+K]+ 258.973048 149.6
[M+H-H2O]+ 203.007150 148.9
[M+HCOO]- 265.008091 165.0
[M+CH3COO]- 279.023741 180.6
[M+Na-2H]- 240.984556 153.0
[M]+ 220.00934142 163.2
[M]- 220.01043858 163.2
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

No patent data available for this compound.