CID 74968

2086-26-2

Structural Information

Molecular Formula
C7H8N2O3
SMILES
C1=CC(=CC=C1CON)[N+](=O)[O-]
InChI
InChI=1S/C7H8N2O3/c8-12-5-6-1-3-7(4-2-6)9(10)11/h1-4H,5,8H2
InChIKey
OJYSJFUYARGLPG-UHFFFAOYSA-N
Compound name
O-[(4-nitrophenyl)methyl]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

11
References

437
Patents

168.0535 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.06078 130.5
[M+Na]+ 191.04272 137.5
[M-H]- 167.04622 134.0
[M+NH4]+ 186.08732 149.6
[M+K]+ 207.01666 132.4
[M+H-H2O]+ 151.05076 129.1
[M+HCOO]- 213.05170 157.5
[M+CH3COO]- 227.06735 173.7
[M+Na-2H]- 189.02817 139.2
[M]+ 168.05295 128.6
[M]- 168.05405 128.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe