CID 61026218

3-[4-(1-aminoethyl)phenyl]benzonitrile

Structural Information

Molecular Formula
C15H14N2
SMILES
CC(C1=CC=C(C=C1)C2=CC=CC(=C2)C#N)N
InChI
InChI=1S/C15H14N2/c1-11(17)13-5-7-14(8-6-13)15-4-2-3-12(9-15)10-16/h2-9,11H,17H2,1H3
InChIKey
SNMYOGXKPMUXLW-UHFFFAOYSA-N
Compound name
3-[4-(1-aminoethyl)phenyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.11569 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.12297 157.3
[M+Na]+ 245.10491 166.7
[M-H]- 221.10841 162.3
[M+NH4]+ 240.14951 173.1
[M+K]+ 261.07885 160.8
[M+H-H2O]+ 205.11295 143.7
[M+HCOO]- 267.11389 176.9
[M+CH3COO]- 281.12954 204.5
[M+Na-2H]- 243.09036 160.5
[M]+ 222.11514 150.0
[M]- 222.11624 150.0
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.