CID 15752653

(2-bromoethoxy)cyclopentane

Structural Information

Molecular Formula
C7H13BrO
SMILES
C1CCC(C1)OCCBr
InChI
InChI=1S/C7H13BrO/c8-5-6-9-7-3-1-2-4-7/h7H,1-6H2
InChIKey
QRVITJYOUROISY-UHFFFAOYSA-N
Compound name
2-bromoethoxycyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

192.01498 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.022256 139.4
[M+Na]+ 215.004198 149.1
[M-H]- 191.007704 145.0
[M+NH4]+ 210.048803 164.0
[M+K]+ 230.978138 139.7
[M+H-H2O]+ 175.012240 140.0
[M+HCOO]- 237.013181 160.2
[M+CH3COO]- 251.028831 179.2
[M+Na-2H]- 212.989646 145.1
[M]+ 192.01443142 156.4
[M]- 192.01552858 156.4
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