CID 86812316

2-[2-(2-nitrophenyl)ethyl]aniline hydrochloride

Structural Information

Molecular Formula
C14H14N2O2
SMILES
C1=CC=C(C(=C1)CCC2=CC=CC=C2[N+](=O)[O-])N
InChI
InChI=1S/C14H14N2O2/c15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16(17)18/h1-8H,9-10,15H2
InChIKey
FYCNYPXCTFCCDR-UHFFFAOYSA-N
Compound name
2-[2-(2-nitrophenyl)ethyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.10553 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.11281 153.4
[M+Na]+ 265.09475 159.5
[M-H]- 241.09825 159.7
[M+NH4]+ 260.13935 169.4
[M+K]+ 281.06869 151.5
[M+H-H2O]+ 225.10279 150.3
[M+HCOO]- 287.10373 179.2
[M+CH3COO]- 301.11938 189.8
[M+Na-2H]- 263.08020 160.2
[M]+ 242.10498 150.5
[M]- 242.10608 150.5
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.