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

2
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

patents stripe