CID 165495254

4-(2-oxoethyl)oxane-4-carbonitrile

Structural Information

Molecular Formula
C8H11NO2
SMILES
C1COCCC1(CC=O)C#N
InChI
InChI=1S/C8H11NO2/c9-7-8(1-4-10)2-5-11-6-3-8/h4H,1-3,5-6H2
InChIKey
RBSFUXSCHGNGJS-UHFFFAOYSA-N
Compound name
4-(2-oxoethyl)oxane-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.07898 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.08626 128.2
[M+Na]+ 176.06820 137.0
[M-H]- 152.07170 131.9
[M+NH4]+ 171.11280 147.8
[M+K]+ 192.04214 135.5
[M+H-H2O]+ 136.07624 117.0
[M+HCOO]- 198.07718 145.6
[M+CH3COO]- 212.09283 186.3
[M+Na-2H]- 174.05365 136.2
[M]+ 153.07843 122.1
[M]- 153.07953 122.1
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.