CID 16787659

3-(4-amino-3-methylphenoxymethyl)benzonitrile hydrochloride

Structural Information

Molecular Formula
C15H14N2O
SMILES
CC1=C(C=CC(=C1)OCC2=CC(=CC=C2)C#N)N
InChI
InChI=1S/C15H14N2O/c1-11-7-14(5-6-15(11)17)18-10-13-4-2-3-12(8-13)9-16/h2-8H,10,17H2,1H3
InChIKey
LILBCOQMNFQMOL-UHFFFAOYSA-N
Compound name
3-[(4-amino-3-methylphenoxy)methyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.11061 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.11789 158.4
[M+Na]+ 261.09983 168.8
[M-H]- 237.10333 163.8
[M+NH4]+ 256.14443 173.9
[M+K]+ 277.07377 163.2
[M+H-H2O]+ 221.10787 144.7
[M+HCOO]- 283.10881 179.1
[M+CH3COO]- 297.12446 206.7
[M+Na-2H]- 259.08528 162.2
[M]+ 238.11006 153.4
[M]- 238.11116 153.4
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

No patent data available for this compound.