CID 155821205

Methyl 2-(3-bromocyclobutyl)acetate

Structural Information

Molecular Formula
C7H11BrO2
SMILES
COC(=O)CC1CC(C1)Br
InChI
InChI=1S/C7H11BrO2/c1-10-7(9)4-5-2-6(8)3-5/h5-6H,2-4H2,1H3
InChIKey
GXTPMQMQCIJYJH-UHFFFAOYSA-N
Compound name
methyl 2-(3-bromocyclobutyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

205.99425 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.001526 128.8
[M+Na]+ 228.983468 138.2
[M-H]- 204.986974 134.9
[M+NH4]+ 224.028073 145.4
[M+K]+ 244.957408 132.0
[M+H-H2O]+ 188.991510 124.9
[M+HCOO]- 250.992451 148.1
[M+CH3COO]- 265.008101 186.3
[M+Na-2H]- 226.968916 134.9
[M]+ 205.99370142 155.3
[M]- 205.99479858 155.3
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