CID 524551

1-bromo-3-methoxypropane

Structural Information

Molecular Formula
C4H9BrO
SMILES
COCCCBr
InChI
InChI=1S/C4H9BrO/c1-6-4-2-3-5/h2-4H2,1H3
InChIKey
CEVMYGZHEJSOHZ-UHFFFAOYSA-N
Compound name
1-bromo-3-methoxypropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3359
Patents

151.98367 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.99095 124.4
[M+Na]+ 174.97289 126.7
[M+NH4]+ 170.01749 129.7
[M+K]+ 190.94683 126.7
[M-H]- 150.97639 123.4
[M+Na-2H]- 172.95834 126.6
[M]+ 151.98312 123.2
[M]- 151.98422 123.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe