CID 43135470

3-(3-bromopropoxy)prop-1-ene

Structural Information

Molecular Formula
C6H11BrO
SMILES
C=CCOCCCBr
InChI
InChI=1S/C6H11BrO/c1-2-5-8-6-3-4-7/h2H,1,3-6H2
InChIKey
AICDXNNCCSZNJA-UHFFFAOYSA-N
Compound name
1-bromo-3-prop-2-enoxypropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.99933 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.00661 130.7
[M+Na]+ 200.98855 141.7
[M-H]- 176.99205 133.7
[M+NH4]+ 196.03315 154.4
[M+K]+ 216.96249 131.6
[M+H-H2O]+ 160.99659 131.6
[M+HCOO]- 222.99753 152.4
[M+CH3COO]- 237.01318 179.2
[M+Na-2H]- 198.97400 138.9
[M]+ 177.99878 151.0
[M]- 177.99988 151.0
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

No patent data available for this compound.