CID 66042468

3-(bromomethyl)-3-methyloxane

Structural Information

Molecular Formula
C7H13BrO
SMILES
CC1(CCCOC1)CBr
InChI
InChI=1S/C7H13BrO/c1-7(5-8)3-2-4-9-6-7/h2-6H2,1H3
InChIKey
PMJMYYWQCAGPSB-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-3-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]+ 193.02226 134.5
[M+Na]+ 215.00420 143.9
[M-H]- 191.00770 140.9
[M+NH4]+ 210.04880 158.1
[M+K]+ 230.97814 135.8
[M+H-H2O]+ 175.01224 136.1
[M+HCOO]- 237.01318 152.5
[M+CH3COO]- 251.02883 178.8
[M+Na-2H]- 212.98965 143.8
[M]+ 192.01443 150.7
[M]- 192.01553 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.