CID 66071122

1-methoxycyclobutane-1-carbonitrile

Structural Information

Molecular Formula
C6H9NO
SMILES
COC1(CCC1)C#N
InChI
InChI=1S/C6H9NO/c1-8-6(5-7)3-2-4-6/h2-4H2,1H3
InChIKey
DTJBZSFLHHEVDX-UHFFFAOYSA-N
Compound name
1-methoxycyclobutane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

111.06841 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.07569 122.0
[M+Na]+ 134.05763 128.6
[M+NH4]+ 129.10223 125.3
[M+K]+ 150.03157 120.6
[M-H]- 110.06113 114.1
[M+Na-2H]- 132.04308 124.6
[M]+ 111.06786 118.9
[M]- 111.06896 118.9
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.