CID 131425206

1-bromo-3-(methoxymethyl)cyclobutane

Structural Information

Molecular Formula
C6H11BrO
SMILES
COCC1CC(C1)Br
InChI
InChI=1S/C6H11BrO/c1-8-4-5-2-6(7)3-5/h5-6H,2-4H2,1H3
InChIKey
CMPKQUWSEFNMME-UHFFFAOYSA-N
Compound name
1-bromo-3-(methoxymethyl)cyclobutane
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 121.2
[M+Na]+ 200.988548 131.3
[M-H]- 176.992054 127.6
[M+NH4]+ 196.033153 139.1
[M+K]+ 216.962488 125.0
[M+H-H2O]+ 160.996590 117.9
[M+HCOO]- 222.997531 141.5
[M+CH3COO]- 237.013181 182.5
[M+Na-2H]- 198.973996 129.3
[M]+ 177.99878142 147.5
[M]- 177.99987858 147.5
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.