CID 134690899

2-(bromomethyl)-5,5-dimethyloxane

Structural Information

Molecular Formula
C8H15BrO
SMILES
CC1(CCC(OC1)CBr)C
InChI
InChI=1S/C8H15BrO/c1-8(2)4-3-7(5-9)10-6-8/h7H,3-6H2,1-2H3
InChIKey
NWWOFDDZNBWTTJ-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-5,5-dimethyloxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.03062 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.03790 138.1
[M+Na]+ 229.01984 148.0
[M-H]- 205.02334 144.7
[M+NH4]+ 224.06444 161.5
[M+K]+ 244.99378 139.6
[M+H-H2O]+ 189.02788 139.7
[M+HCOO]- 251.02882 155.7
[M+CH3COO]- 265.04447 182.7
[M+Na-2H]- 227.00529 146.3
[M]+ 206.03007 155.0
[M]- 206.03117 155.0
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

patents stripe