CID 154578289

1-(2-methoxyethyl)-3-oxocyclobutane-1-carbonitrile

Structural Information

Molecular Formula
C8H11NO2
SMILES
COCCC1(CC(=O)C1)C#N
InChI
InChI=1S/C8H11NO2/c1-11-3-2-8(6-9)4-7(10)5-8/h2-5H2,1H3
InChIKey
NAXCDDCJWXIOLF-UHFFFAOYSA-N
Compound name
1-(2-methoxyethyl)-3-oxocyclobutane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

153.07898 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.086256 124.5
[M+Na]+ 176.068198 133.1
[M-H]- 152.071704 128.6
[M+NH4]+ 171.112803 139.8
[M+K]+ 192.042138 135.6
[M+H-H2O]+ 136.076240 110.2
[M+HCOO]- 198.077181 143.6
[M+CH3COO]- 212.092831 191.9
[M+Na-2H]- 174.053646 131.2
[M]+ 153.07843142 129.4
[M]- 153.07952858 129.4
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