CID 51000343

1229624-12-7

Structural Information

Molecular Formula
C6H11BrO
SMILES
C1COCC1CCBr
InChI
InChI=1S/C6H11BrO/c7-3-1-6-2-4-8-5-6/h6H,1-5H2
InChIKey
QUNGVZNMYWXZDW-UHFFFAOYSA-N
Compound name
3-(2-bromoethyl)oxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

177.99933 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.00661 134.8
[M+Na]+ 200.98855 144.9
[M-H]- 176.99205 141.1
[M+NH4]+ 196.03315 158.7
[M+K]+ 216.96249 136.6
[M+H-H2O]+ 160.99659 135.7
[M+HCOO]- 222.99753 155.0
[M+CH3COO]- 237.01318 176.2
[M+Na-2H]- 198.97400 142.0
[M]+ 177.99878 152.0
[M]- 177.99988 152.0
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