CID 12749918

2-(4-bromobutyl)oxirane

Structural Information

Molecular Formula
C6H11BrO
SMILES
C1C(O1)CCCCBr
InChI
InChI=1S/C6H11BrO/c7-4-2-1-3-6-5-8-6/h6H,1-5H2
InChIKey
DDDKRQUCUNMSDF-UHFFFAOYSA-N
Compound name
2-(4-bromobutyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

177.99933 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.006606 133.0
[M+Na]+ 200.988548 145.7
[M-H]- 176.992054 140.8
[M+NH4]+ 196.033153 151.1
[M+K]+ 216.962488 136.6
[M+H-H2O]+ 160.996590 132.5
[M+HCOO]- 222.997531 154.0
[M+CH3COO]- 237.013181 181.9
[M+Na-2H]- 198.973996 142.5
[M]+ 177.99878142 154.8
[M]- 177.99987858 154.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe