CID 10012491

[1-(bromomethyl)cyclobutyl]methanol

Structural Information

Molecular Formula
C6H11BrO
SMILES
C1CC(C1)(CO)CBr
InChI
InChI=1S/C6H11BrO/c7-4-6(5-8)2-1-3-6/h8H,1-5H2
InChIKey
WQYQDAJAQDRKEG-UHFFFAOYSA-N
Compound name
[1-(bromomethyl)cyclobutyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

177.99933 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.006606 123.5
[M+Na]+ 200.988548 133.0
[M-H]- 176.992054 128.6
[M+NH4]+ 196.033153 142.3
[M+K]+ 216.962488 125.9
[M+H-H2O]+ 160.996590 121.4
[M+HCOO]- 222.997531 142.4
[M+CH3COO]- 237.013181 178.7
[M+Na-2H]- 198.973996 132.6
[M]+ 177.99878142 148.1
[M]- 177.99987858 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