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

79
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 119.9
[M+Na]+ 139.07295 126.3
[M-H]- 115.07645 123.9
[M+NH4]+ 134.11755 138.0
[M+K]+ 155.04689 130.1
[M+H-H2O]+ 99.080990 111.6
[M+HCOO]- 161.08193 142.6
[M+CH3COO]- 175.09758 172.5
[M+Na-2H]- 137.05840 128.1
[M]+ 116.08318 130.1
[M]- 116.08428 130.1
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