CID 13049977

1,1-dimethoxycyclobutane

Structural Information

Molecular Formula
C6H12O2
SMILES
COC1(CCC1)OC
InChI
InChI=1S/C6H12O2/c1-7-6(8-2)4-3-5-6/h3-5H2,1-2H3
InChIKey
LLZPXMCHUMPYRH-UHFFFAOYSA-N
Compound name
1,1-dimethoxycyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

116.08373 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.09101 121.7
[M+Na]+ 139.07295 128.1
[M+NH4]+ 134.11755 128.1
[M+K]+ 155.04689 123.1
[M-H]- 115.07645 120.3
[M+Na-2H]- 137.05840 126.3
[M]+ 116.08318 121.1
[M]- 116.08428 121.1
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