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]+ 140.10700 123.1
[M+Na]+ 162.08894 130.9
[M-H]- 138.09244 127.0
[M+NH4]+ 157.13354 138.8
[M+K]+ 178.06288 133.3
[M+H-H2O]+ 122.09698 108.7
[M+HCOO]- 184.09792 141.9
[M+CH3COO]- 198.11357 190.1
[M+Na-2H]- 160.07439 130.4
[M]+ 139.09917 127.1
[M]- 139.10027 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.