CID 155821408

2445790-25-8

Structural Information

Molecular Formula
C10H15BrO2
SMILES
CC(C)(C)OC(=O)C1CC(=CBr)C1
InChI
InChI=1S/C10H15BrO2/c1-10(2,3)13-9(12)8-4-7(5-8)6-11/h6,8H,4-5H2,1-3H3
InChIKey
BGPZSGNCNITUNR-UHFFFAOYSA-N
Compound name
tert-butyl 3-(bromomethylidene)cyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.02554 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.032816 142.7
[M+Na]+ 269.014758 151.8
[M-H]- 245.018264 148.7
[M+NH4]+ 264.059363 158.1
[M+K]+ 284.988698 144.7
[M+H-H2O]+ 229.022800 139.0
[M+HCOO]- 291.023741 159.8
[M+CH3COO]- 305.039391 192.7
[M+Na-2H]- 267.000206 147.8
[M]+ 246.02499142 169.0
[M]- 246.02608858 169.0
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.