CID 21809018

155650-56-9

Structural Information

Molecular Formula
C7H11NO2
SMILES
COC1(CCOCC1)C#N
InChI
InChI=1S/C7H11NO2/c1-9-7(6-8)2-4-10-5-3-7/h2-5H2,1H3
InChIKey
JYLRHRCUJLPODN-UHFFFAOYSA-N
Compound name
4-methoxyoxane-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

141.07898 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.086256 124.3
[M+Na]+ 164.068198 133.2
[M-H]- 140.071704 128.1
[M+NH4]+ 159.112803 144.3
[M+K]+ 180.042138 132.5
[M+H-H2O]+ 124.076240 113.2
[M+HCOO]- 186.077181 141.8
[M+CH3COO]- 200.092831 184.4
[M+Na-2H]- 162.053646 132.8
[M]+ 141.07843142 118.4
[M]- 141.07952858 118.4
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