CID 137952133

2219373-67-6

Structural Information

Molecular Formula
C6H11BrO
SMILES
C[C@@H]1CCO[C@@H]1CBr
InChI
InChI=1S/C6H11BrO/c1-5-2-3-8-6(5)4-7/h5-6H,2-4H2,1H3/t5-,6-/m1/s1
InChIKey
UYAUKJPGWASXGX-PHDIDXHHSA-N
Compound name
(2S,3R)-2-(bromomethyl)-3-methyloxolane
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 134.1
[M+Na]+ 200.98855 145.1
[M-H]- 176.99205 140.7
[M+NH4]+ 196.03315 158.3
[M+K]+ 216.96249 136.7
[M+H-H2O]+ 160.99659 135.2
[M+HCOO]- 222.99753 154.3
[M+CH3COO]- 237.01318 177.2
[M+Na-2H]- 198.97400 140.7
[M]+ 177.99878 151.6
[M]- 177.99988 151.6
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.