CID 13042890

2-(bromomethyl)-2-methyloxolane

Structural Information

Molecular Formula
C6H11BrO
SMILES
CC1(CCCO1)CBr
InChI
InChI=1S/C6H11BrO/c1-6(5-7)3-2-4-8-6/h2-5H2,1H3
InChIKey
FCRGNIOWVNCUGM-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-2-methyloxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.99933 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.006606 132.2
[M+Na]+ 200.988548 143.1
[M-H]- 176.992054 138.9
[M+NH4]+ 196.033153 158.1
[M+K]+ 216.962488 135.0
[M+H-H2O]+ 160.996590 134.2
[M+HCOO]- 222.997531 152.5
[M+CH3COO]- 237.013181 175.8
[M+Na-2H]- 198.973996 140.7
[M]+ 177.99878142 149.8
[M]- 177.99987858 149.8
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.