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]+ 193.02226 136.0
[M+Na]+ 215.00420 145.4
[M-H]- 191.00770 142.3
[M+NH4]+ 210.04880 157.9
[M+K]+ 230.97814 137.0
[M+H-H2O]+ 175.01224 136.8
[M+HCOO]- 237.01318 153.9
[M+CH3COO]- 251.02883 180.2
[M+Na-2H]- 212.98965 143.4
[M]+ 192.01443 152.0
[M]- 192.01553 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.