CID 220557

Dimethyl[2-(4-nitrophenyl)ethyl]amine hydrochloride

Structural Information

Molecular Formula
C10H14N2O2
SMILES
CN(C)CCC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C10H14N2O2/c1-11(2)8-7-9-3-5-10(6-4-9)12(13)14/h3-6H,7-8H2,1-2H3
InChIKey
QRJSXWJAUQIENU-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(4-nitrophenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

114
Patents

194.10553 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.11281 141.7
[M+Na]+ 217.09475 147.8
[M-H]- 193.09825 146.7
[M+NH4]+ 212.13935 160.8
[M+K]+ 233.06869 143.3
[M+H-H2O]+ 177.10279 139.8
[M+HCOO]- 239.10373 168.7
[M+CH3COO]- 253.11938 185.2
[M+Na-2H]- 215.08020 148.9
[M]+ 194.10498 141.8
[M]- 194.10608 141.8
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