CID 13658336

474657-80-2

Structural Information

Molecular Formula
C6H11BrO
SMILES
CC1(CC1Br)COC
InChI
InChI=1S/C6H11BrO/c1-6(4-8-2)3-5(6)7/h5H,3-4H2,1-2H3
InChIKey
UHIUMKWQIFASMH-UHFFFAOYSA-N
Compound name
2-bromo-1-(methoxymethyl)-1-methylcyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 130.7
[M+Na]+ 200.988548 144.8
[M-H]- 176.992054 138.6
[M+NH4]+ 196.033153 152.0
[M+K]+ 216.962488 135.3
[M+H-H2O]+ 160.996590 132.0
[M+HCOO]- 222.997531 152.3
[M+CH3COO]- 237.013181 182.6
[M+Na-2H]- 198.973996 139.7
[M]+ 177.99878142 152.8
[M]- 177.99987858 152.8
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.