CID 122163663

1-(methoxymethyl)cyclobutane-1-carbaldehyde

Structural Information

Molecular Formula
C7H12O2
SMILES
COCC1(CCC1)C=O
InChI
InChI=1S/C7H12O2/c1-9-6-7(5-8)3-2-4-7/h5H,2-4,6H2,1H3
InChIKey
WLIWPQWVHIEUQL-UHFFFAOYSA-N
Compound name
1-(methoxymethyl)cyclobutane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

128.08372 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.09100 123.4
[M+Na]+ 151.07294 129.7
[M-H]- 127.07644 127.2
[M+NH4]+ 146.11754 141.0
[M+K]+ 167.04688 132.6
[M+H-H2O]+ 111.08098 115.0
[M+HCOO]- 173.08192 145.9
[M+CH3COO]- 187.09757 174.5
[M+Na-2H]- 149.05839 131.0
[M]+ 128.08317 133.3
[M]- 128.08427 133.3
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.