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

14
Patents

192.01498 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.02226 139.4
[M+Na]+ 215.00420 149.1
[M-H]- 191.00770 145.0
[M+NH4]+ 210.04880 164.0
[M+K]+ 230.97814 139.7
[M+H-H2O]+ 175.01224 140.0
[M+HCOO]- 237.01318 160.2
[M+CH3COO]- 251.02883 179.2
[M+Na-2H]- 212.98965 145.1
[M]+ 192.01443 156.4
[M]- 192.01553 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