CID 10012491

[1-(bromomethyl)cyclobutyl]methanol

Structural Information

Molecular Formula
C6H11BrO
SMILES
C1CC(C1)(CO)CBr
InChI
InChI=1S/C6H11BrO/c7-4-6(5-8)2-1-3-6/h8H,1-5H2
InChIKey
WQYQDAJAQDRKEG-UHFFFAOYSA-N
Compound name
[1-(bromomethyl)cyclobutyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

177.99933 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.00661 131.8
[M+Na]+ 200.98855 129.7
[M+NH4]+ 196.03315 134.8
[M+K]+ 216.96249 130.2
[M-H]- 176.99205 129.2
[M+Na-2H]- 198.97400 133.1
[M]+ 177.99878 128.6
[M]- 177.99988 128.6
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

patents stripe