CID 459020

Akos025120291

Structural Information

Molecular Formula
C10H15N3O2
SMILES
CCN(CC)C1=CC(=C(C=C1)[N+](=O)[O-])N
InChI
InChI=1S/C10H15N3O2/c1-3-12(4-2)8-5-6-10(13(14)15)9(11)7-8/h5-7H,3-4,11H2,1-2H3
InChIKey
RURSJPLIHVROFN-UHFFFAOYSA-N
Compound name
1-N,1-N-diethyl-4-nitrobenzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.11642 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.12370 144.8
[M+Na]+ 232.10564 150.8
[M-H]- 208.10914 149.5
[M+NH4]+ 227.15024 162.8
[M+K]+ 248.07958 145.8
[M+H-H2O]+ 192.11368 142.6
[M+HCOO]- 254.11462 172.0
[M+CH3COO]- 268.13027 190.3
[M+Na-2H]- 230.09109 150.7
[M]+ 209.11587 143.3
[M]- 209.11697 143.3
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.