CID 9588265

Isonitrosomesityl oxide

Structural Information

Molecular Formula
C6H9NO2
SMILES
CC(=CC(=O)/C=N/O)C
InChI
InChI=1S/C6H9NO2/c1-5(2)3-6(8)4-7-9/h3-4,9H,1-2H3/b7-4+
InChIKey
UQZHLUDSRNZEQT-QPJJXVBHSA-N
Compound name
(1E)-1-hydroxyimino-4-methylpent-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

127.06333 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.07061 127.2
[M+Na]+ 150.05255 136.0
[M+NH4]+ 145.09715 133.8
[M+K]+ 166.02649 131.8
[M-H]- 126.05605 125.8
[M+Na-2H]- 148.03800 129.9
[M]+ 127.06278 127.5
[M]- 127.06388 127.5
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.