CID 54964789

2-{[2-(methoxymethyl)phenyl]amino}benzonitrile

Structural Information

Molecular Formula
C15H14N2O
SMILES
COCC1=CC=CC=C1NC2=CC=CC=C2C#N
InChI
InChI=1S/C15H14N2O/c1-18-11-13-7-3-5-9-15(13)17-14-8-4-2-6-12(14)10-16/h2-9,17H,11H2,1H3
InChIKey
SHVKWXJRQFZITL-UHFFFAOYSA-N
Compound name
2-[2-(methoxymethyl)anilino]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.11061 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.11789 157.4
[M+Na]+ 261.09983 167.0
[M-H]- 237.10333 162.7
[M+NH4]+ 256.14443 172.8
[M+K]+ 277.07377 161.5
[M+H-H2O]+ 221.10787 143.4
[M+HCOO]- 283.10881 178.7
[M+CH3COO]- 297.12446 206.2
[M+Na-2H]- 259.08528 162.8
[M]+ 238.11006 152.9
[M]- 238.11116 152.9
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

No patent data available for this compound.