CID 165759493

2-bromo-1-(1-methylcyclobutyl)ethan-1-one

Structural Information

Molecular Formula
C7H11BrO
SMILES
CC1(CCC1)C(=O)CBr
InChI
InChI=1S/C7H11BrO/c1-7(3-2-4-7)6(9)5-8/h2-5H2,1H3
InChIKey
YGPSDQWQSBSNDD-UHFFFAOYSA-N
Compound name
2-bromo-1-(1-methylcyclobutyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 126.7
[M+Na]+ 212.988548 136.3
[M-H]- 188.992054 133.1
[M+NH4]+ 208.033153 145.6
[M+K]+ 228.962488 129.7
[M+H-H2O]+ 172.996590 124.4
[M+HCOO]- 234.997531 145.9
[M+CH3COO]- 249.013181 183.8
[M+Na-2H]- 210.973996 134.6
[M]+ 189.99878142 152.2
[M]- 189.99987858 152.2
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

No patent data available for this compound.