CID 23163355

(1,3-dioxolan-2-yl)acetonitrile

Structural Information

Molecular Formula
C5H7NO2
SMILES
C1COC(O1)CC#N
InChI
InChI=1S/C5H7NO2/c6-2-1-5-7-3-4-8-5/h5H,1,3-4H2
InChIKey
PSGGISCDILSVMS-UHFFFAOYSA-N
Compound name
2-(1,3-dioxolan-2-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

113.047676 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.054952 115.3
[M+Na]+ 136.036894 124.7
[M-H]- 112.040400 119.2
[M+NH4]+ 131.081499 134.8
[M+K]+ 152.010834 125.6
[M+H-H2O]+ 96.044936 103.7
[M+HCOO]- 158.045877 134.2
[M+CH3COO]- 172.061527 179.3
[M+Na-2H]- 134.022342 123.5
[M]+ 113.04712742 110.8
[M]- 113.04822458 110.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe