CID 118010300

2-bromo-1-cyclobutylpropan-1-one

Structural Information

Molecular Formula
C7H11BrO
SMILES
CC(C(=O)C1CCC1)Br
InChI
InChI=1S/C7H11BrO/c1-5(8)7(9)6-3-2-4-6/h5-6H,2-4H2,1H3
InChIKey
XPFRRNUECDZICA-UHFFFAOYSA-N
Compound name
2-bromo-1-cyclobutylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

189.99933 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.006606 128.9
[M+Na]+ 212.988548 137.3
[M-H]- 188.992054 134.8
[M+NH4]+ 208.033153 145.7
[M+K]+ 228.962488 131.1
[M+H-H2O]+ 172.996590 125.0
[M+HCOO]- 234.997531 147.0
[M+CH3COO]- 249.013181 184.9
[M+Na-2H]- 210.973996 134.3
[M]+ 189.99878142 153.2
[M]- 189.99987858 153.2
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