CID 121552805

2-methyl-2-(4-oxooxolan-3-yl)propanenitrile

Structural Information

Molecular Formula
C8H11NO2
SMILES
CC(C)(C#N)C1COCC1=O
InChI
InChI=1S/C8H11NO2/c1-8(2,5-9)6-3-11-4-7(6)10/h6H,3-4H2,1-2H3
InChIKey
WOYZIUAJIQNTAF-UHFFFAOYSA-N
Compound name
2-methyl-2-(4-oxooxolan-3-yl)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.07898 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.086256 131.5
[M+Na]+ 176.068198 141.1
[M-H]- 152.071704 135.3
[M+NH4]+ 171.112803 151.0
[M+K]+ 192.042138 140.3
[M+H-H2O]+ 136.076240 120.4
[M+HCOO]- 198.077181 149.1
[M+CH3COO]- 212.092831 187.8
[M+Na-2H]- 174.053646 137.0
[M]+ 153.07843142 126.6
[M]- 153.07952858 126.6
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.