CID 12498123

2-nitrophenethylamine

Structural Information

Molecular Formula
C8H10N2O2
SMILES
C1=CC=C(C(=C1)CCN)[N+](=O)[O-]
InChI
InChI=1S/C8H10N2O2/c9-6-5-7-3-1-2-4-8(7)10(11)12/h1-4H,5-6,9H2
InChIKey
UIYSCXBCJJMZQR-UHFFFAOYSA-N
Compound name
2-(2-nitrophenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

221
Patents

166.07423 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08151 132.3
[M+Na]+ 189.06345 139.0
[M-H]- 165.06695 135.7
[M+NH4]+ 184.10805 151.6
[M+K]+ 205.03739 133.2
[M+H-H2O]+ 149.07149 131.0
[M+HCOO]- 211.07243 158.8
[M+CH3COO]- 225.08808 174.7
[M+Na-2H]- 187.04890 140.3
[M]+ 166.07368 129.4
[M]- 166.07478 129.4
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.