CID 591996

1-(3-nitrophenyl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C8H10N2O2
SMILES
CC(C1=CC(=CC=C1)[N+](=O)[O-])N
InChI
InChI=1S/C8H10N2O2/c1-6(9)7-3-2-4-8(5-7)10(11)12/h2-6H,9H2,1H3
InChIKey
AVIBPONLEKDCPQ-UHFFFAOYSA-N
Compound name
1-(3-nitrophenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
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 138.8
[M-H]- 165.06695 135.7
[M+NH4]+ 184.10805 151.5
[M+K]+ 205.03739 133.4
[M+H-H2O]+ 149.07149 131.1
[M+HCOO]- 211.07243 157.8
[M+CH3COO]- 225.08808 175.4
[M+Na-2H]- 187.04890 139.1
[M]+ 166.07368 128.7
[M]- 166.07478 128.7
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