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]+ 238.133876 162.6
[M+Na]+ 260.115818 171.0
[M-H]- 236.119324 166.9
[M+NH4]+ 255.160423 177.1
[M+K]+ 276.089758 165.1
[M+H-H2O]+ 220.123860 148.6
[M+HCOO]- 282.124801 182.3
[M+CH3COO]- 296.140451 208.5
[M+Na-2H]- 258.101266 165.0
[M]+ 237.12605142 153.7
[M]- 237.12714858 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