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

14
Patents

139.06332 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.07060 120.5
[M+Na]+ 162.05254 129.4
[M-H]- 138.05604 124.8
[M+NH4]+ 157.09714 136.3
[M+K]+ 178.02648 132.2
[M+H-H2O]+ 122.06058 106.3
[M+HCOO]- 184.06152 139.9
[M+CH3COO]- 198.07717 189.3
[M+Na-2H]- 160.03799 127.7
[M]+ 139.06277 125.1
[M]- 139.06387 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