CID 177798762

3-(bromomethyl)-1-methoxy-1-methylcyclobutane

Structural Information

Molecular Formula
C7H13BrO
SMILES
CC1(CC(C1)CBr)OC
InChI
InChI=1S/C7H13BrO/c1-7(9-2)3-6(4-7)5-8/h6H,3-5H2,1-2H3
InChIKey
PGTCIPGDRKIVHO-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-1-methoxy-1-methylcyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.01498 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.022256 125.4
[M+Na]+ 215.004198 135.9
[M-H]- 191.007704 132.1
[M+NH4]+ 210.048803 144.7
[M+K]+ 230.978138 129.4
[M+H-H2O]+ 175.012240 123.3
[M+HCOO]- 237.013181 145.4
[M+CH3COO]- 251.028831 184.9
[M+Na-2H]- 212.989646 134.0
[M]+ 192.01443142 152.5
[M]- 192.01552858 152.5
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.