CID 67364

148-71-0

Structural Information

Molecular Formula
C11H18N2
SMILES
CCN(CC)C1=CC(=C(C=C1)N)C
InChI
InChI=1S/C11H18N2/c1-4-13(5-2)10-6-7-11(12)9(3)8-10/h6-8H,4-5,12H2,1-3H3
InChIKey
XBTWVJKPQPQTDW-UHFFFAOYSA-N
Compound name
4-N,4-N-diethyl-2-methylbenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

26
References

14244
Patents

178.147 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.15428 141.3
[M+Na]+ 201.13622 153.0
[M+NH4]+ 196.18082 150.3
[M+K]+ 217.11016 146.3
[M-H]- 177.13972 145.4
[M+Na-2H]- 199.12167 148.3
[M]+ 178.14645 144.1
[M]- 178.14755 144.1
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