CID 119030971

Methyl 2-bromo-2-(1-methoxycyclobutyl)acetate

Structural Information

Molecular Formula
C8H13BrO3
SMILES
COC(=O)C(C1(CCC1)OC)Br
InChI
InChI=1S/C8H13BrO3/c1-11-7(10)6(9)8(12-2)4-3-5-8/h6H,3-5H2,1-2H3
InChIKey
QRPFVNKRLHTTHC-UHFFFAOYSA-N
Compound name
methyl 2-bromo-2-(1-methoxycyclobutyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.0048 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.01208 137.6
[M+Na]+ 258.99402 146.1
[M-H]- 234.99752 143.6
[M+NH4]+ 254.03862 154.5
[M+K]+ 274.96796 140.7
[M+H-H2O]+ 219.00206 134.5
[M+HCOO]- 281.00300 155.8
[M+CH3COO]- 295.01865 190.2
[M+Na-2H]- 256.97947 143.6
[M]+ 236.00425 165.2
[M]- 236.00535 165.2
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.