CID 114826152

4-(bromomethyl)-2-methyloxolane

Structural Information

Molecular Formula
C6H11BrO
SMILES
CC1CC(CO1)CBr
InChI
InChI=1S/C6H11BrO/c1-5-2-6(3-7)4-8-5/h5-6H,2-4H2,1H3
InChIKey
OKEVOAIFVOCJIC-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-2-methyloxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

177.99933 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.006606 134.1
[M+Na]+ 200.988548 145.1
[M-H]- 176.992054 140.7
[M+NH4]+ 196.033153 158.3
[M+K]+ 216.962488 136.7
[M+H-H2O]+ 160.996590 135.2
[M+HCOO]- 222.997531 154.3
[M+CH3COO]- 237.013181 177.2
[M+Na-2H]- 198.973996 140.7
[M]+ 177.99878142 151.6
[M]- 177.99987858 151.6
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