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
trans-(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]+ 179.006606 133.9
[M+Na]+ 200.988548 144.9
[M-H]- 176.992054 140.1
[M+NH4]+ 196.033153 159.3
[M+K]+ 216.962488 135.7
[M+H-H2O]+ 160.996590 134.9
[M+HCOO]- 222.997531 155.0
[M+CH3COO]- 237.013181 177.3
[M+Na-2H]- 198.973996 139.6
[M]+ 177.99878142 150.9
[M]- 177.99987858 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.