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]+ 191.00661 123.0
[M+Na]+ 212.98855 134.6
[M-H]- 188.99205 130.1
[M+NH4]+ 208.03315 142.6
[M+K]+ 228.96249 127.6
[M+H-H2O]+ 172.99659 121.2
[M+HCOO]- 234.99753 143.2
[M+CH3COO]- 249.01318 185.0
[M+Na-2H]- 210.97400 131.1
[M]+ 189.99878 149.8
[M]- 189.99988 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