CID 24213

Tk 11

Structural Information

Molecular Formula
C15H15N3
SMILES
C1=CC(=CC=C1C(CC#N)C2=CC=C(C=C2)N)N
InChI
InChI=1S/C15H15N3/c16-10-9-15(11-1-5-13(17)6-2-11)12-3-7-14(18)8-4-12/h1-8,15H,9,17-18H2
InChIKey
HYPPLPXNCFVOPU-UHFFFAOYSA-N
Compound name
3,3-bis(4-aminophenyl)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

237.1266 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.13388 162.6
[M+Na]+ 260.11582 171.0
[M-H]- 236.11932 166.9
[M+NH4]+ 255.16042 177.1
[M+K]+ 276.08976 165.1
[M+H-H2O]+ 220.12386 148.6
[M+HCOO]- 282.12480 182.3
[M+CH3COO]- 296.14045 208.5
[M+Na-2H]- 258.10127 165.0
[M]+ 237.12605 153.7
[M]- 237.12715 153.7
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