CID 22611416

2-(4-nitrophenyl)propan-2-amine hydrochloride

Structural Information

Molecular Formula
C9H12N2O2
SMILES
CC(C)(C1=CC=C(C=C1)[N+](=O)[O-])N
InChI
InChI=1S/C9H12N2O2/c1-9(2,10)7-3-5-8(6-4-7)11(12)13/h3-6H,10H2,1-2H3
InChIKey
HHLRHCXMURYDHN-UHFFFAOYSA-N
Compound name
2-(4-nitrophenyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

180.08987 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.09715 136.1
[M+Na]+ 203.07909 143.0
[M-H]- 179.08259 139.8
[M+NH4]+ 198.12369 155.1
[M+K]+ 219.05303 137.3
[M+H-H2O]+ 163.08713 135.4
[M+HCOO]- 225.08807 160.8
[M+CH3COO]- 239.10372 177.9
[M+Na-2H]- 201.06454 144.8
[M]+ 180.08932 133.1
[M]- 180.09042 133.1
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