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

0
Patents

153.07898 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.08626 124.5
[M+Na]+ 176.06820 133.1
[M-H]- 152.07170 128.6
[M+NH4]+ 171.11280 139.8
[M+K]+ 192.04214 135.6
[M+H-H2O]+ 136.07624 110.2
[M+HCOO]- 198.07718 143.6
[M+CH3COO]- 212.09283 191.9
[M+Na-2H]- 174.05365 131.2
[M]+ 153.07843 129.4
[M]- 153.07953 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

No patent data available for this compound.