CID 8142677

2,6-diethyl-4-nitroaniline

Structural Information

Molecular Formula
C10H14N2O2
SMILES
CCC1=CC(=CC(=C1N)CC)[N+](=O)[O-]
InChI
InChI=1S/C10H14N2O2/c1-3-7-5-9(12(13)14)6-8(4-2)10(7)11/h5-6H,3-4,11H2,1-2H3
InChIKey
HTGVSRAUFWFPJI-UHFFFAOYSA-N
Compound name
2,6-diethyl-4-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

26
Patents

194.10553 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.11281 141.3
[M+Na]+ 217.09475 149.1
[M-H]- 193.09825 145.1
[M+NH4]+ 212.13935 160.1
[M+K]+ 233.06869 142.8
[M+H-H2O]+ 177.10279 140.1
[M+HCOO]- 239.10373 167.0
[M+CH3COO]- 253.11938 183.1
[M+Na-2H]- 215.08020 146.9
[M]+ 194.10498 139.9
[M]- 194.10608 139.9
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