CID 165792194

3-(2-bromopropyl)oxolane

Structural Information

Molecular Formula
C7H13BrO
SMILES
CC(CC1CCOC1)Br
InChI
InChI=1S/C7H13BrO/c1-6(8)4-7-2-3-9-5-7/h6-7H,2-5H2,1H3
InChIKey
LYGLADNVEANGDZ-UHFFFAOYSA-N
Compound name
3-(2-bromopropyl)oxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.01498 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.022256 140.6
[M+Na]+ 215.004198 150.0
[M-H]- 191.007704 146.8
[M+NH4]+ 210.048803 163.9
[M+K]+ 230.978138 141.9
[M+H-H2O]+ 175.012240 141.4
[M+HCOO]- 237.013181 159.5
[M+CH3COO]- 251.028831 179.8
[M+Na-2H]- 212.989646 146.0
[M]+ 192.01443142 157.5
[M]- 192.01552858 157.5
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.