CID 6939034

Isonitrozine

Structural Information

Molecular Formula
C6H12N2O2
SMILES
CC(=O)/C(=N\O)/CN(C)C
InChI
InChI=1S/C6H12N2O2/c1-5(9)6(7-10)4-8(2)3/h10H,4H2,1-3H3/b7-6-
InChIKey
ZCDDZFXNXKTHTN-SREVYHEPSA-N
Compound name
(3Z)-4-(dimethylamino)-3-hydroxyiminobutan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

7
Patents

144.08987 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.097146 131.1
[M+Na]+ 167.079088 136.9
[M-H]- 143.082594 133.0
[M+NH4]+ 162.123693 152.5
[M+K]+ 183.053028 138.7
[M+H-H2O]+ 127.087130 125.5
[M+HCOO]- 189.088071 156.3
[M+CH3COO]- 203.103721 183.6
[M+Na-2H]- 165.064536 135.2
[M]+ 144.08932142 132.1
[M]- 144.09041858 132.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe