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

53
Patents

141.07898 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.08626 124.3
[M+Na]+ 164.06820 133.2
[M-H]- 140.07170 128.1
[M+NH4]+ 159.11280 144.3
[M+K]+ 180.04214 132.5
[M+H-H2O]+ 124.07624 113.2
[M+HCOO]- 186.07718 141.8
[M+CH3COO]- 200.09283 184.4
[M+Na-2H]- 162.05365 132.8
[M]+ 141.07843 118.4
[M]- 141.07953 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