CID 3595793

855715-31-0

Structural Information

Molecular Formula
C12H20N2
SMILES
CCC1=CC=C(C=C1)C(CN)N(C)C
InChI
InChI=1S/C12H20N2/c1-4-10-5-7-11(8-6-10)12(9-13)14(2)3/h5-8,12H,4,9,13H2,1-3H3
InChIKey
YDUYAUXCQVPGKS-UHFFFAOYSA-N
Compound name
1-(4-ethylphenyl)-N,N-dimethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 146.9
[M+Na]+ 215.15186 152.1
[M-H]- 191.15536 151.2
[M+NH4]+ 210.19646 166.4
[M+K]+ 231.12580 151.0
[M+H-H2O]+ 175.15990 140.1
[M+HCOO]- 237.16084 171.3
[M+CH3COO]- 251.17649 195.0
[M+Na-2H]- 213.13731 150.2
[M]+ 192.16209 146.3
[M]- 192.16319 146.3
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.