CID 66824330

1-(methoxymethyl)-3-oxocyclobutane-1-carbonitrile

Structural Information

Molecular Formula
C7H9NO2
SMILES
COCC1(CC(=O)C1)C#N
InChI
InChI=1S/C7H9NO2/c1-10-5-7(4-8)2-6(9)3-7/h2-3,5H2,1H3
InChIKey
RZRVMUOPWGCXJL-UHFFFAOYSA-N
Compound name
1-(methoxymethyl)-3-oxocyclobutane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

139.06332 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.070596 120.5
[M+Na]+ 162.052538 129.4
[M-H]- 138.056044 124.8
[M+NH4]+ 157.097143 136.3
[M+K]+ 178.026478 132.2
[M+H-H2O]+ 122.060580 106.3
[M+HCOO]- 184.061521 139.9
[M+CH3COO]- 198.077171 189.3
[M+Na-2H]- 160.037986 127.7
[M]+ 139.06277142 125.1
[M]- 139.06386858 125.1
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