CID 3064156

O-phenylenediamine, n-(2-(diethylamino)ethyl)-, dihydrochloride

Structural Information

Molecular Formula
C12H21N3
SMILES
CCN(CC)CCNC1=CC=CC=C1N
InChI
InChI=1S/C12H21N3/c1-3-15(4-2)10-9-14-12-8-6-5-7-11(12)13/h5-8,14H,3-4,9-10,13H2,1-2H3
InChIKey
QCPBUPZDJQWDCZ-UHFFFAOYSA-N
Compound name
2-N-[2-(diethylamino)ethyl]benzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

207.17355 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.180826 149.7
[M+Na]+ 230.162768 154.3
[M-H]- 206.166274 153.8
[M+NH4]+ 225.207373 168.3
[M+K]+ 246.136708 152.6
[M+H-H2O]+ 190.170810 142.2
[M+HCOO]- 252.171751 176.1
[M+CH3COO]- 266.187401 199.1
[M+Na-2H]- 228.148216 154.6
[M]+ 207.17300142 149.0
[M]- 207.17409858 149.0
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