CID 70551263

3-(bromomethyl)-2,2-dimethylcyclobutan-1-one

Structural Information

Molecular Formula
C7H11BrO
SMILES
CC1(C(CC1=O)CBr)C
InChI
InChI=1S/C7H11BrO/c1-7(2)5(4-8)3-6(7)9/h5H,3-4H2,1-2H3
InChIKey
HJPJUZODEYMDTN-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-2,2-dimethylcyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

189.99933 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.006606 123.0
[M+Na]+ 212.988548 134.6
[M-H]- 188.992054 130.1
[M+NH4]+ 208.033153 142.6
[M+K]+ 228.962488 127.6
[M+H-H2O]+ 172.996590 121.2
[M+HCOO]- 234.997531 143.2
[M+CH3COO]- 249.013181 185.0
[M+Na-2H]- 210.973996 131.1
[M]+ 189.99878142 149.8
[M]- 189.99987858 149.8
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