CID 292925

N1,n1-diethylbenzene-1,3-diamine

Structural Information

Molecular Formula
C10H16N2
SMILES
CCN(CC)C1=CC=CC(=C1)N
InChI
InChI=1S/C10H16N2/c1-3-12(4-2)10-7-5-6-9(11)8-10/h5-8H,3-4,11H2,1-2H3
InChIKey
KFSNHOUZAIGMAF-UHFFFAOYSA-N
Compound name
3-N,3-N-diethylbenzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

411
Patents

164.13135 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.138626 136.9
[M+Na]+ 187.120568 143.3
[M-H]- 163.124074 141.5
[M+NH4]+ 182.165173 157.7
[M+K]+ 203.094508 142.1
[M+H-H2O]+ 147.128610 130.5
[M+HCOO]- 209.129551 163.1
[M+CH3COO]- 223.145201 188.0
[M+Na-2H]- 185.106016 142.6
[M]+ 164.13080142 136.3
[M]- 164.13189858 136.3
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