CID 129922612

2-bromo-1,1-dimethoxycyclobutane

Structural Information

Molecular Formula
C6H11BrO2
SMILES
COC1(CCC1Br)OC
InChI
InChI=1S/C6H11BrO2/c1-8-6(9-2)4-3-5(6)7/h5H,3-4H2,1-2H3
InChIKey
NUGDZTYCJVPTDS-UHFFFAOYSA-N
Compound name
2-bromo-1,1-dimethoxycyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.99425 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.001526 123.0
[M+Na]+ 216.983468 133.6
[M-H]- 192.986974 129.7
[M+NH4]+ 212.028073 142.1
[M+K]+ 232.957408 127.8
[M+H-H2O]+ 176.991510 120.8
[M+HCOO]- 238.992451 143.4
[M+CH3COO]- 253.008101 183.9
[M+Na-2H]- 214.968916 132.1
[M]+ 193.99370142 151.0
[M]- 193.99479858 151.0
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

patents stripe