CID 66470864

4-(bromomethyl)-2-methyloxane

Structural Information

Molecular Formula
C7H13BrO
SMILES
CC1CC(CCO1)CBr
InChI
InChI=1S/C7H13BrO/c1-6-4-7(5-8)2-3-9-6/h6-7H,2-5H2,1H3
InChIKey
PLCCUYBFCLNIDM-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-2-methyloxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.01498 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.022256 136.0
[M+Na]+ 215.004198 145.4
[M-H]- 191.007704 142.3
[M+NH4]+ 210.048803 157.9
[M+K]+ 230.978138 137.0
[M+H-H2O]+ 175.012240 136.8
[M+HCOO]- 237.013181 153.9
[M+CH3COO]- 251.028831 180.2
[M+Na-2H]- 212.989646 143.4
[M]+ 192.01443142 152.0
[M]- 192.01552858 152.0
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.