CID 12920385

(1-bromocyclobutyl)methanol

Structural Information

Molecular Formula
C5H9BrO
SMILES
C1CC(C1)(CO)Br
InChI
InChI=1S/C5H9BrO/c6-5(4-7)2-1-3-5/h7H,1-4H2
InChIKey
LTQJDTFEKCSGAG-UHFFFAOYSA-N
Compound name
(1-bromocyclobutyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.98367 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.99095 118.9
[M+Na]+ 186.97289 128.8
[M-H]- 162.97639 124.2
[M+NH4]+ 182.01749 138.2
[M+K]+ 202.94683 122.0
[M+H-H2O]+ 146.98093 117.0
[M+HCOO]- 208.98187 138.1
[M+CH3COO]- 222.99752 175.9
[M+Na-2H]- 184.95834 128.5
[M]+ 163.98312 143.2
[M]- 163.98422 143.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.