CID 155820588

3-(2-bromoethyl)cyclobutan-1-ol

Structural Information

Molecular Formula
C6H11BrO
SMILES
C1C(CC1O)CCBr
InChI
InChI=1S/C6H11BrO/c7-2-1-5-3-6(8)4-5/h5-6,8H,1-4H2
InChIKey
SWQLQCHLTKVHPG-UHFFFAOYSA-N
Compound name
3-(2-bromoethyl)cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.99933 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.006606 123.2
[M+Na]+ 200.988548 132.8
[M-H]- 176.992054 128.2
[M+NH4]+ 196.033153 140.4
[M+K]+ 216.962488 125.6
[M+H-H2O]+ 160.996590 119.8
[M+HCOO]- 222.997531 142.0
[M+CH3COO]- 237.013181 180.0
[M+Na-2H]- 198.973996 130.6
[M]+ 177.99878142 147.7
[M]- 177.99987858 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.