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

1
Patents

177.99933 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.006606 130.7
[M+Na]+ 200.988548 141.7
[M-H]- 176.992054 133.7
[M+NH4]+ 196.033153 154.4
[M+K]+ 216.962488 131.6
[M+H-H2O]+ 160.996590 131.6
[M+HCOO]- 222.997531 152.4
[M+CH3COO]- 237.013181 179.2
[M+Na-2H]- 198.973996 138.9
[M]+ 177.99878142 151.0
[M]- 177.99987858 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

patents stripe