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]+ 193.02226 140.6
[M+Na]+ 215.00420 150.0
[M-H]- 191.00770 146.8
[M+NH4]+ 210.04880 163.9
[M+K]+ 230.97814 141.9
[M+H-H2O]+ 175.01224 141.4
[M+HCOO]- 237.01318 159.5
[M+CH3COO]- 251.02883 179.8
[M+Na-2H]- 212.98965 146.0
[M]+ 192.01443 157.5
[M]- 192.01553 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.