CID 275343

Ethyl 1-cyanocyclobutane-1-carboxylate

Structural Information

Molecular Formula
C8H11NO2
SMILES
CCOC(=O)C1(CCC1)C#N
InChI
InChI=1S/C8H11NO2/c1-2-11-7(10)8(6-9)4-3-5-8/h2-5H2,1H3
InChIKey
VPAQDMAYKQBDLT-UHFFFAOYSA-N
Compound name
ethyl 1-cyanocyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

153.07898 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.08626 128.0
[M+Na]+ 176.06820 135.6
[M-H]- 152.07170 131.8
[M+NH4]+ 171.11280 143.0
[M+K]+ 192.04214 138.4
[M+H-H2O]+ 136.07624 113.3
[M+HCOO]- 198.07718 146.2
[M+CH3COO]- 212.09283 191.1
[M+Na-2H]- 174.05365 133.9
[M]+ 153.07843 131.9
[M]- 153.07953 131.9
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.