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]+ 247.03282 142.7
[M+Na]+ 269.01476 151.8
[M-H]- 245.01826 148.7
[M+NH4]+ 264.05936 158.1
[M+K]+ 284.98870 144.7
[M+H-H2O]+ 229.02280 139.0
[M+HCOO]- 291.02374 159.8
[M+CH3COO]- 305.03939 192.7
[M+Na-2H]- 267.00021 147.8
[M]+ 246.02499 169.0
[M]- 246.02609 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.