CID 65378706

1-(2-methoxyethyl)cyclobutane-1-carbonitrile

Structural Information

Molecular Formula
C8H13NO
SMILES
COCCC1(CCC1)C#N
InChI
InChI=1S/C8H13NO/c1-10-6-5-8(7-9)3-2-4-8/h2-6H2,1H3
InChIKey
GUXSMGBQNJMDSY-UHFFFAOYSA-N
Compound name
1-(2-methoxyethyl)cyclobutane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.09972 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.106996 123.1
[M+Na]+ 162.088938 130.9
[M-H]- 138.092444 127.0
[M+NH4]+ 157.133543 138.8
[M+K]+ 178.062878 133.3
[M+H-H2O]+ 122.096980 108.7
[M+HCOO]- 184.097921 141.9
[M+CH3COO]- 198.113571 190.1
[M+Na-2H]- 160.074386 130.4
[M]+ 139.09917142 127.1
[M]- 139.10026858 127.1
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.