CID 156009348

3,3-dimethoxy-1-methylcyclobutane-1-carbaldehyde

Structural Information

Molecular Formula
C8H14O3
SMILES
CC1(CC(C1)(OC)OC)C=O
InChI
InChI=1S/C8H14O3/c1-7(6-9)4-8(5-7,10-2)11-3/h6H,4-5H2,1-3H3
InChIKey
DISHZRUCMGOLNJ-UHFFFAOYSA-N
Compound name
3,3-dimethoxy-1-methylcyclobutane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

158.0943 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.101576 130.1
[M+Na]+ 181.083518 137.6
[M-H]- 157.087024 134.5
[M+NH4]+ 176.128123 148.7
[M+K]+ 197.057458 140.8
[M+H-H2O]+ 141.091560 123.0
[M+HCOO]- 203.092501 152.4
[M+CH3COO]- 217.108151 180.2
[M+Na-2H]- 179.068966 137.8
[M]+ 158.09375142 142.6
[M]- 158.09484858 142.6
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