CID 66071110

1-ethoxycyclobutane-1-carbonitrile

Structural Information

Molecular Formula
C7H11NO
SMILES
CCOC1(CCC1)C#N
InChI
InChI=1S/C7H11NO/c1-2-9-7(6-8)4-3-5-7/h2-5H2,1H3
InChIKey
QZKNQEZGLUTOJY-UHFFFAOYSA-N
Compound name
1-ethoxycyclobutane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

125.08406 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.091336 119.1
[M+Na]+ 148.073278 127.3
[M-H]- 124.076784 123.1
[M+NH4]+ 143.117883 135.3
[M+K]+ 164.047218 129.9
[M+H-H2O]+ 108.081320 104.8
[M+HCOO]- 170.082261 138.2
[M+CH3COO]- 184.097911 187.5
[M+Na-2H]- 146.058726 126.9
[M]+ 125.08351142 122.8
[M]- 125.08460858 122.8
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