CID 12522558

51422-76-5

Structural Information

Molecular Formula
C6H11BrO
SMILES
CO[C@@H]1CCC[C@H]1Br
InChI
InChI=1S/C6H11BrO/c1-8-6-4-2-3-5(6)7/h5-6H,2-4H2,1H3/t5-,6-/m1/s1
InChIKey
HNBGZVCNAAUYAD-PHDIDXHHSA-N
Compound name
(1R,2R)-1-bromo-2-methoxycyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.99933 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.00661 133.9
[M+Na]+ 200.98855 144.9
[M-H]- 176.99205 140.1
[M+NH4]+ 196.03315 159.3
[M+K]+ 216.96249 135.7
[M+H-H2O]+ 160.99659 134.9
[M+HCOO]- 222.99753 155.0
[M+CH3COO]- 237.01318 177.3
[M+Na-2H]- 198.97400 139.6
[M]+ 177.99878 150.9
[M]- 177.99988 150.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.