CID 97033905

1-(methoxymethyl)cyclobutane-1-carbonitrile

Structural Information

Molecular Formula
C7H11NO
SMILES
COCC1(CCC1)C#N
InChI
InChI=1S/C7H11NO/c1-9-6-7(5-8)3-2-4-7/h2-4,6H2,1H3
InChIKey
KNFQUIAEHPLNEH-UHFFFAOYSA-N
Compound name
1-(methoxymethyl)cyclobutane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

125.08406 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.09134 119.1
[M+Na]+ 148.07328 127.3
[M-H]- 124.07678 123.1
[M+NH4]+ 143.11788 135.3
[M+K]+ 164.04722 129.9
[M+H-H2O]+ 108.08132 104.8
[M+HCOO]- 170.08226 138.2
[M+CH3COO]- 184.09791 187.5
[M+Na-2H]- 146.05873 126.9
[M]+ 125.08351 122.8
[M]- 125.08461 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

No patent data available for this compound.