CID 165692499

2743434-13-9

Structural Information

Molecular Formula
C8H13BrO2
SMILES
COC(=O)C1CC(C1)CCBr
InChI
InChI=1S/C8H13BrO2/c1-11-8(10)7-4-6(5-7)2-3-9/h6-7H,2-5H2,1H3
InChIKey
ROQHTWYFHPEKDA-UHFFFAOYSA-N
Compound name
methyl 3-(2-bromoethyl)cyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.00989 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.01717 133.5
[M+Na]+ 242.99911 142.5
[M-H]- 219.00261 139.5
[M+NH4]+ 238.04371 149.6
[M+K]+ 258.97305 136.1
[M+H-H2O]+ 203.00715 129.4
[M+HCOO]- 265.00809 152.5
[M+CH3COO]- 279.02374 189.0
[M+Na-2H]- 240.98456 139.1
[M]+ 220.00934 160.3
[M]- 220.01044 160.3
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

No patent data available for this compound.