CID 3860307

31788-97-3

Structural Information

Molecular Formula
C12H20N2
SMILES
CCN(CC)C(CN)C1=CC=CC=C1
InChI
InChI=1S/C12H20N2/c1-3-14(4-2)12(10-13)11-8-6-5-7-9-11/h5-9,12H,3-4,10,13H2,1-2H3
InChIKey
ZXCVEIVPQIPKIO-UHFFFAOYSA-N
Compound name
N,N-diethyl-1-phenylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

192.16264 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.16992 146.8
[M+Na]+ 215.15186 157.1
[M+NH4]+ 210.19646 155.4
[M+K]+ 231.12580 150.6
[M-H]- 191.15536 150.5
[M+Na-2H]- 213.13731 153.5
[M]+ 192.16209 149.1
[M]- 192.16319 149.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe