CID 64867

33327-07-0

Structural Information

Molecular Formula
C9H12N2O3
SMILES
C1=CC=C(C=C1)C(CC(=O)NO)NO
InChI
InChI=1S/C9H12N2O3/c12-9(11-14)6-8(10-13)7-4-2-1-3-5-7/h1-5,8,10,13-14H,6H2,(H,11,12)
InChIKey
SSKLEYVXZCZTNE-UHFFFAOYSA-N
Compound name
N-hydroxy-3-(hydroxyamino)-3-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.0848 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.09208 141.3
[M+Na]+ 219.07402 145.7
[M-H]- 195.07752 142.0
[M+NH4]+ 214.11862 158.1
[M+K]+ 235.04796 143.9
[M+H-H2O]+ 179.08206 134.8
[M+HCOO]- 241.08300 163.7
[M+CH3COO]- 255.09865 182.7
[M+Na-2H]- 217.05947 146.5
[M]+ 196.08425 138.1
[M]- 196.08535 138.1
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

No patent data available for this compound.