CID 23321074

N-[(2-nitrophenyl)methyl]hydroxylamine

Structural Information

Molecular Formula
C7H8N2O3
SMILES
C1=CC=C(C(=C1)CNO)[N+](=O)[O-]
InChI
InChI=1S/C7H8N2O3/c10-8-5-6-3-1-2-4-7(6)9(11)12/h1-4,8,10H,5H2
InChIKey
OTPVMQSPENXDJL-UHFFFAOYSA-N
Compound name
N-[(2-nitrophenyl)methyl]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

168.0535 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.060776 129.9
[M+Na]+ 191.042718 136.5
[M-H]- 167.046224 132.5
[M+NH4]+ 186.087323 148.6
[M+K]+ 207.016658 130.8
[M+H-H2O]+ 151.050760 128.7
[M+HCOO]- 213.051701 156.1
[M+CH3COO]- 227.067351 171.6
[M+Na-2H]- 189.028166 139.2
[M]+ 168.05295142 127.2
[M]- 168.05404858 127.2
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