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

1
Patents

111.06841 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.075686 115.1
[M+Na]+ 134.057628 123.6
[M-H]- 110.061134 119.3
[M+NH4]+ 129.102233 131.8
[M+K]+ 150.031568 126.5
[M+H-H2O]+ 94.065670 101.0
[M+HCOO]- 156.066611 134.5
[M+CH3COO]- 170.082261 184.8
[M+Na-2H]- 132.043076 123.4
[M]+ 111.06786142 118.5
[M]- 111.06895858 118.5
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