CID 524034

2-bromo-1-methoxypropane

Structural Information

Molecular Formula
C4H9BrO
SMILES
CC(COC)Br
InChI
InChI=1S/C4H9BrO/c1-4(5)3-6-2/h4H,3H2,1-2H3
InChIKey
PBHYCZIZMTYKAS-UHFFFAOYSA-N
Compound name
2-bromo-1-methoxypropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

151.98367 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.990946 124.0
[M+Na]+ 174.972888 135.3
[M-H]- 150.976394 127.4
[M+NH4]+ 170.017493 148.7
[M+K]+ 190.946828 126.7
[M+H-H2O]+ 134.980930 125.2
[M+HCOO]- 196.981871 145.2
[M+CH3COO]- 210.997521 175.2
[M+Na-2H]- 172.958336 132.0
[M]+ 151.98312142 143.6
[M]- 151.98421858 143.6
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