CID 3302213

2-(morpholin-4-ylmethyl)benzonitrile

Structural Information

Molecular Formula
C12H14N2O
SMILES
C1COCCN1CC2=CC=CC=C2C#N
InChI
InChI=1S/C12H14N2O/c13-9-11-3-1-2-4-12(11)10-14-5-7-15-8-6-14/h1-4H,5-8,10H2
InChIKey
WXZFICVYQDEYTK-UHFFFAOYSA-N
Compound name
2-(morpholin-4-ylmethyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

202.11061 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.11789 150.1
[M+Na]+ 225.09983 162.7
[M+NH4]+ 220.14443 155.3
[M+K]+ 241.07377 152.4
[M-H]- 201.10333 147.6
[M+Na-2H]- 223.08528 154.6
[M]+ 202.11006 150.4
[M]- 202.11116 150.4
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