CID 9601076

733794-85-9

Structural Information

Molecular Formula
C9H10ClN3O2
SMILES
C1=CC=C(C(=C1)NC(=O)C/C(=N/O)/N)Cl
InChI
InChI=1S/C9H10ClN3O2/c10-6-3-1-2-4-7(6)12-9(14)5-8(11)13-15/h1-4,15H,5H2,(H2,11,13)(H,12,14)
InChIKey
ISAQYFYVRMYXTH-UHFFFAOYSA-N
Compound name
(3Z)-3-amino-N-(2-chlorophenyl)-3-hydroxyiminopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

227.04616 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.053436 148.1
[M+Na]+ 250.035378 154.7
[M-H]- 226.038884 151.3
[M+NH4]+ 245.079983 165.7
[M+K]+ 266.009318 151.2
[M+H-H2O]+ 210.043420 142.3
[M+HCOO]- 272.044361 169.4
[M+CH3COO]- 286.060011 193.4
[M+Na-2H]- 248.020826 152.3
[M]+ 227.04561142 147.2
[M]- 227.04670858 147.2
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