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

6
Patents

192.01498 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.02226 137.3
[M+Na]+ 215.00420 147.8
[M-H]- 191.00770 143.3
[M+NH4]+ 210.04880 163.8
[M+K]+ 230.97814 138.5
[M+H-H2O]+ 175.01224 138.9
[M+HCOO]- 237.01318 158.1
[M+CH3COO]- 251.02883 178.8
[M+Na-2H]- 212.98965 144.2
[M]+ 192.01443 154.7
[M]- 192.01553 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