CID 2778428

4-(1,3-dioxolan-2-yl)benzonitrile

Structural Information

Molecular Formula
C10H9NO2
SMILES
C1COC(O1)C2=CC=C(C=C2)C#N
InChI
InChI=1S/C10H9NO2/c11-7-8-1-3-9(4-2-8)10-12-5-6-13-10/h1-4,10H,5-6H2
InChIKey
AQXQCWAXQJVTKU-UHFFFAOYSA-N
Compound name
4-(1,3-dioxolan-2-yl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

201
Patents

175.06332 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.07060 133.6
[M+Na]+ 198.05254 143.8
[M-H]- 174.05604 140.0
[M+NH4]+ 193.09714 150.8
[M+K]+ 214.02648 141.9
[M+H-H2O]+ 158.06058 121.0
[M+HCOO]- 220.06152 152.4
[M+CH3COO]- 234.07717 146.5
[M+Na-2H]- 196.03799 140.2
[M]+ 175.06277 128.7
[M]- 175.06387 128.7
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