CID 63991336

3-(morpholin-2-yl)benzonitrile hydrochloride

Structural Information

Molecular Formula
C11H12N2O
SMILES
C1COC(CN1)C2=CC=CC(=C2)C#N
InChI
InChI=1S/C11H12N2O/c12-7-9-2-1-3-10(6-9)11-8-13-4-5-14-11/h1-3,6,11,13H,4-5,8H2
InChIKey
TZCOXLOPBPHUEJ-UHFFFAOYSA-N
Compound name
3-morpholin-2-ylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

188.09496 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.102236 139.7
[M+Na]+ 211.084178 147.8
[M-H]- 187.087684 142.5
[M+NH4]+ 206.128783 153.9
[M+K]+ 227.058118 143.7
[M+H-H2O]+ 171.092220 125.7
[M+HCOO]- 233.093161 154.2
[M+CH3COO]- 247.108811 150.0
[M+Na-2H]- 209.069626 145.7
[M]+ 188.09441142 129.9
[M]- 188.09550858 129.9
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