CID 135535932

6797-44-0

Structural Information

Molecular Formula
C10H9NO3
SMILES
CC(=O)/C(=C(/C1=CC=CC=C1)\O)/N=O
InChI
InChI=1S/C10H9NO3/c1-7(12)9(11-14)10(13)8-5-3-2-4-6-8/h2-6,13H,1H3/b10-9+
InChIKey
UMQCXGGBHYGWTG-MDZDMXLPSA-N
Compound name
(E)-4-hydroxy-3-nitroso-4-phenylbut-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

191.05824 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.065516 139.2
[M+Na]+ 214.047458 145.4
[M-H]- 190.050964 142.9
[M+NH4]+ 209.092063 157.9
[M+K]+ 230.021398 144.4
[M+H-H2O]+ 174.055500 133.0
[M+HCOO]- 236.056441 162.8
[M+CH3COO]- 250.072091 184.6
[M+Na-2H]- 212.032906 143.5
[M]+ 191.05769142 138.9
[M]- 191.05878858 138.9
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

patents stripe