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 125.6
[M+Na]+ 150.05255 132.6
[M-H]- 126.05605 126.2
[M+NH4]+ 145.09715 147.5
[M+K]+ 166.02649 132.3
[M+H-H2O]+ 110.06059 121.0
[M+HCOO]- 172.06153 149.6
[M+CH3COO]- 186.07718 173.4
[M+Na-2H]- 148.03800 130.4
[M]+ 127.06278 125.4
[M]- 127.06388 125.4
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.