CID 220582

Isopropyl-(2-(4-nitro-phenyl)-ethyl)-amine

Structural Information

Molecular Formula
C11H16N2O2
SMILES
CC(C)NCCC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C11H16N2O2/c1-9(2)12-8-7-10-3-5-11(6-4-10)13(14)15/h3-6,9,12H,7-8H2,1-2H3
InChIKey
SJHATZJNMYCGEU-UHFFFAOYSA-N
Compound name
N-[2-(4-nitrophenyl)ethyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

208.12119 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.12847 146.4
[M+Na]+ 231.11041 151.6
[M-H]- 207.11391 149.8
[M+NH4]+ 226.15501 164.2
[M+K]+ 247.08435 145.9
[M+H-H2O]+ 191.11845 144.5
[M+HCOO]- 253.11939 171.5
[M+CH3COO]- 267.13504 185.3
[M+Na-2H]- 229.09586 152.6
[M]+ 208.12064 144.9
[M]- 208.12174 144.9
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