CID 16071203

87294-97-1

Structural Information

Molecular Formula
C12H12N2O2
SMILES
C1COCCN1C(=O)C2=CC=C(C=C2)C#N
InChI
InChI=1S/C12H12N2O2/c13-9-10-1-3-11(4-2-10)12(15)14-5-7-16-8-6-14/h1-4H,5-8H2
InChIKey
YAKOUCKNNNLXIH-UHFFFAOYSA-N
Compound name
4-(morpholine-4-carbonyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

216.08987 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.09715 146.3
[M+Na]+ 239.07909 154.2
[M-H]- 215.08259 150.2
[M+NH4]+ 234.12369 159.9
[M+K]+ 255.05303 151.2
[M+H-H2O]+ 199.08713 131.7
[M+HCOO]- 261.08807 161.2
[M+CH3COO]- 275.10372 197.2
[M+Na-2H]- 237.06454 151.0
[M]+ 216.08932 138.4
[M]- 216.09042 138.4
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