CID 64985111

4-(bromomethyl)-4-methyloxane

Structural Information

Molecular Formula
C7H13BrO
SMILES
CC1(CCOCC1)CBr
InChI
InChI=1S/C7H13BrO/c1-7(6-8)2-4-9-5-3-7/h2-6H2,1H3
InChIKey
CHVXBTYXHHPSCW-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-4-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 134.5
[M+Na]+ 215.004198 143.9
[M-H]- 191.007704 140.9
[M+NH4]+ 210.048803 158.1
[M+K]+ 230.978138 135.8
[M+H-H2O]+ 175.012240 136.1
[M+HCOO]- 237.013181 152.5
[M+CH3COO]- 251.028831 178.8
[M+Na-2H]- 212.989646 143.8
[M]+ 192.01443142 150.7
[M]- 192.01552858 150.7
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.