CID 62113508

1-(bromomethyl)-1-methoxycyclopentane

Structural Information

Molecular Formula
C7H13BrO
SMILES
COC1(CCCC1)CBr
InChI
InChI=1S/C7H13BrO/c1-9-7(6-8)4-2-3-5-7/h2-6H2,1H3
InChIKey
YDKLSRNFHLKIAA-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-1-methoxycyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

192.01498 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.022256 137.3
[M+Na]+ 215.004198 147.8
[M-H]- 191.007704 143.3
[M+NH4]+ 210.048803 163.8
[M+K]+ 230.978138 138.5
[M+H-H2O]+ 175.012240 138.9
[M+HCOO]- 237.013181 158.1
[M+CH3COO]- 251.028831 178.8
[M+Na-2H]- 212.989646 144.2
[M]+ 192.01443142 154.7
[M]- 192.01552858 154.7
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

patents stripe