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

2
Patents

207.17355 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.18083 149.7
[M+Na]+ 230.16277 154.3
[M-H]- 206.16627 153.8
[M+NH4]+ 225.20737 168.3
[M+K]+ 246.13671 152.6
[M+H-H2O]+ 190.17081 142.2
[M+HCOO]- 252.17175 176.1
[M+CH3COO]- 266.18740 199.1
[M+Na-2H]- 228.14822 154.6
[M]+ 207.17300 149.0
[M]- 207.17410 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