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]+ 221.017166 133.5
[M+Na]+ 242.999108 142.5
[M-H]- 219.002614 139.5
[M+NH4]+ 238.043713 149.6
[M+K]+ 258.973048 136.1
[M+H-H2O]+ 203.007150 129.4
[M+HCOO]- 265.008091 152.5
[M+CH3COO]- 279.023741 189.0
[M+Na-2H]- 240.984556 139.1
[M]+ 220.00934142 160.3
[M]- 220.01043858 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.