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

5
Patents

191.05824 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.06552 139.2
[M+Na]+ 214.04746 145.4
[M-H]- 190.05096 142.9
[M+NH4]+ 209.09206 157.9
[M+K]+ 230.02140 144.4
[M+H-H2O]+ 174.05550 133.0
[M+HCOO]- 236.05644 162.8
[M+CH3COO]- 250.07209 184.6
[M+Na-2H]- 212.03291 143.5
[M]+ 191.05769 138.9
[M]- 191.05879 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