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

9
Patents

208.12119 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.128466 146.4
[M+Na]+ 231.110408 151.6
[M-H]- 207.113914 149.8
[M+NH4]+ 226.155013 164.2
[M+K]+ 247.084348 145.9
[M+H-H2O]+ 191.118450 144.5
[M+HCOO]- 253.119391 171.5
[M+CH3COO]- 267.135041 185.3
[M+Na-2H]- 229.095856 152.6
[M]+ 208.12064142 144.9
[M]- 208.12173858 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