CID 79576884

1-bromo-3-(methoxymethyl)cyclopentane

Structural Information

Molecular Formula
C7H13BrO
SMILES
COCC1CCC(C1)Br
InChI
InChI=1S/C7H13BrO/c1-9-5-6-2-3-7(8)4-6/h6-7H,2-5H2,1H3
InChIKey
WHKAGFBDXZJERO-UHFFFAOYSA-N
Compound name
1-bromo-3-(methoxymethyl)cyclopentane
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 138.6
[M+Na]+ 215.004198 149.2
[M-H]- 191.007704 144.6
[M+NH4]+ 210.048803 163.5
[M+K]+ 230.978138 139.7
[M+H-H2O]+ 175.012240 139.4
[M+HCOO]- 237.013181 159.3
[M+CH3COO]- 251.028831 180.2
[M+Na-2H]- 212.989646 143.8
[M]+ 192.01443142 155.9
[M]- 192.01552858 155.9
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.