CID 21434041

1-bromo-4-(propan-2-yloxy)butane

Structural Information

Molecular Formula
C7H15BrO
SMILES
CC(C)OCCCCBr
InChI
InChI=1S/C7H15BrO/c1-7(2)9-6-4-3-5-8/h7H,3-6H2,1-2H3
InChIKey
WPMITPIOKXNEQI-UHFFFAOYSA-N
Compound name
1-bromo-4-propan-2-yloxybutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

194.03062 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.03790 138.1
[M+Na]+ 217.01984 148.2
[M-H]- 193.02334 141.0
[M+NH4]+ 212.06444 161.2
[M+K]+ 232.99378 138.8
[M+H-H2O]+ 177.02788 138.7
[M+HCOO]- 239.02882 158.3
[M+CH3COO]- 253.04447 183.7
[M+Na-2H]- 215.00529 144.4
[M]+ 194.03007 158.7
[M]- 194.03117 158.7
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