CID 57699701

4-(4-bromobutyl)oxane

Structural Information

Molecular Formula
C9H17BrO
SMILES
C1COCCC1CCCCBr
InChI
InChI=1S/C9H17BrO/c10-6-2-1-3-9-4-7-11-8-5-9/h9H,1-8H2
InChIKey
WZJKARAZSGMQEV-UHFFFAOYSA-N
Compound name
4-(4-bromobutyl)oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

220.04628 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.05356 143.8
[M+Na]+ 243.03550 145.7
[M+NH4]+ 238.08010 149.3
[M+K]+ 259.00944 145.0
[M-H]- 219.03900 145.7
[M+Na-2H]- 241.02095 145.7
[M]+ 220.04573 143.4
[M]- 220.04683 143.4
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