CID 121553173

1-(2-bromoethyl)cyclobutan-1-ol

Structural Information

Molecular Formula
C6H11BrO
SMILES
C1CC(C1)(CCBr)O
InChI
InChI=1S/C6H11BrO/c7-5-4-6(8)2-1-3-6/h8H,1-5H2
InChIKey
WSQXFIYFNWDJPH-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
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 123.5
[M+Na]+ 200.98855 133.0
[M-H]- 176.99205 128.6
[M+NH4]+ 196.03315 142.3
[M+K]+ 216.96249 125.9
[M+H-H2O]+ 160.99659 121.4
[M+HCOO]- 222.99753 142.4
[M+CH3COO]- 237.01318 178.7
[M+Na-2H]- 198.97400 132.6
[M]+ 177.99878 148.1
[M]- 177.99988 148.1
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