CID 57699704

4-(3-bromopropyl)oxane

Structural Information

Molecular Formula
C8H15BrO
SMILES
C1COCCC1CCCBr
InChI
InChI=1S/C8H15BrO/c9-5-1-2-8-3-6-10-7-4-8/h8H,1-7H2
InChIKey
ISUJTGWHAHQUFJ-UHFFFAOYSA-N
Compound name
4-(3-bromopropyl)oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

206.03062 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.037896 141.3
[M+Na]+ 229.019838 149.4
[M-H]- 205.023344 147.0
[M+NH4]+ 224.064443 162.3
[M+K]+ 244.993778 140.7
[M+H-H2O]+ 189.027880 141.6
[M+HCOO]- 251.028821 158.8
[M+CH3COO]- 265.044471 182.0
[M+Na-2H]- 227.005286 148.7
[M]+ 206.03007142 157.2
[M]- 206.03116858 157.2
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