CID 15783712

2-(3-bromopropyl)oxolane

Structural Information

Molecular Formula
C7H13BrO
SMILES
C1CC(OC1)CCCBr
InChI
InChI=1S/C7H13BrO/c8-5-1-3-7-4-2-6-9-7/h7H,1-6H2
InChIKey
WHUBAYNVEWJFOP-UHFFFAOYSA-N
Compound name
2-(3-bromopropyl)oxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

192.01498 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.022256 139.5
[M+Na]+ 215.004198 149.2
[M-H]- 191.007704 145.6
[M+NH4]+ 210.048803 162.9
[M+K]+ 230.978138 140.7
[M+H-H2O]+ 175.012240 140.2
[M+HCOO]- 237.013181 159.4
[M+CH3COO]- 251.028831 179.0
[M+Na-2H]- 212.989646 146.1
[M]+ 192.01443142 157.0
[M]- 192.01552858 157.0
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