CID 155920804

(3-bromomethyl-cyclobutyl)-methanol

Structural Information

Molecular Formula
C6H11BrO
SMILES
C1C(CC1CBr)CO
InChI
InChI=1S/C6H11BrO/c7-3-5-1-6(2-5)4-8/h5-6,8H,1-4H2
InChIKey
MBXSBKKVKVQIAQ-UHFFFAOYSA-N
Compound name
[3-(bromomethyl)cyclobutyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.99933 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.00661 123.2
[M+Na]+ 200.98855 132.8
[M-H]- 176.99205 128.2
[M+NH4]+ 196.03315 140.4
[M+K]+ 216.96249 125.6
[M+H-H2O]+ 160.99659 119.8
[M+HCOO]- 222.99753 142.0
[M+CH3COO]- 237.01318 180.0
[M+Na-2H]- 198.97400 130.6
[M]+ 177.99878 147.7
[M]- 177.99988 147.7
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

No patent data available for this compound.