CID 162342426

1-(bromomethyl)-2-methoxycyclopentane

Structural Information

Molecular Formula
C7H13BrO
SMILES
COC1CCCC1CBr
InChI
InChI=1S/C7H13BrO/c1-9-7-4-2-3-6(7)5-8/h6-7H,2-5H2,1H3
InChIKey
DGPFLAUOZBVWOH-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-2-methoxycyclopentane
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 138.6
[M+Na]+ 215.00420 149.2
[M-H]- 191.00770 144.6
[M+NH4]+ 210.04880 163.5
[M+K]+ 230.97814 139.7
[M+H-H2O]+ 175.01224 139.4
[M+HCOO]- 237.01318 159.3
[M+CH3COO]- 251.02883 180.2
[M+Na-2H]- 212.98965 143.8
[M]+ 192.01443 155.9
[M]- 192.01553 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.