CID 44171746

1,4-phenylenediacetamidoxime, aldrichcpr

Structural Information

Molecular Formula
C10H14N4O2
SMILES
C1=CC(=CC=C1C/C(=N/O)/N)C/C(=N/O)/N
InChI
InChI=1S/C10H14N4O2/c11-9(13-15)5-7-1-2-8(4-3-7)6-10(12)14-16/h1-4,15-16H,5-6H2,(H2,11,13)(H2,12,14)
InChIKey
POWAAUQSLKNYFI-UHFFFAOYSA-N
Compound name
2-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]-N'-hydroxyethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.11168 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.11896 148.7
[M+Na]+ 245.10090 153.2
[M-H]- 221.10440 151.3
[M+NH4]+ 240.14550 164.9
[M+K]+ 261.07484 151.3
[M+H-H2O]+ 205.10894 141.1
[M+HCOO]- 267.10988 174.5
[M+CH3COO]- 281.12553 197.7
[M+Na-2H]- 243.08635 152.2
[M]+ 222.11113 144.2
[M]- 222.11223 144.2
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.