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

10
Patents

192.01498 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.02226 139.5
[M+Na]+ 215.00420 149.2
[M-H]- 191.00770 145.6
[M+NH4]+ 210.04880 162.9
[M+K]+ 230.97814 140.7
[M+H-H2O]+ 175.01224 140.2
[M+HCOO]- 237.01318 159.4
[M+CH3COO]- 251.02883 179.0
[M+Na-2H]- 212.98965 146.1
[M]+ 192.01443 157.0
[M]- 192.01553 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