CID 117273104

(3-bromocyclobutyl)methanol

Structural Information

Molecular Formula
C5H9BrO
SMILES
C1C(CC1Br)CO
InChI
InChI=1S/C5H9BrO/c6-5-1-4(2-5)3-7/h4-5,7H,1-3H2
InChIKey
XBGLMJVUINDDMO-UHFFFAOYSA-N
Compound name
(3-bromocyclobutyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

163.98367 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.99095 118.6
[M+Na]+ 186.97289 128.5
[M-H]- 162.97639 123.7
[M+NH4]+ 182.01749 136.2
[M+K]+ 202.94683 121.6
[M+H-H2O]+ 146.98093 115.4
[M+HCOO]- 208.98187 137.7
[M+CH3COO]- 222.99752 177.3
[M+Na-2H]- 184.95834 126.5
[M]+ 163.98312 142.7
[M]- 163.98422 142.7
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