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

93
Patents

153.07898 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.086256 128.0
[M+Na]+ 176.068198 135.6
[M-H]- 152.071704 131.8
[M+NH4]+ 171.112803 143.0
[M+K]+ 192.042138 138.4
[M+H-H2O]+ 136.076240 113.3
[M+HCOO]- 198.077181 146.2
[M+CH3COO]- 212.092831 191.1
[M+Na-2H]- 174.053646 133.9
[M]+ 153.07843142 131.9
[M]- 153.07952858 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

literature stripe

Patent stripe

patents stripe