CID 22638

Phenol, 5-(dimethylamino)-4-methyl-2-nitroso-

Structural Information

Molecular Formula
C9H12N2O2
SMILES
CC1=CC(=C(C=C1N(C)C)O)N=O
InChI
InChI=1S/C9H12N2O2/c1-6-4-7(10-13)9(12)5-8(6)11(2)3/h4-5,12H,1-3H3
InChIKey
ZFJPGGFPXKWKFO-UHFFFAOYSA-N
Compound name
5-(dimethylamino)-4-methyl-2-nitrosophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.08987 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.097146 135.9
[M+Na]+ 203.079088 144.8
[M-H]- 179.082594 142.0
[M+NH4]+ 198.123693 156.7
[M+K]+ 219.053028 144.7
[M+H-H2O]+ 163.087130 129.7
[M+HCOO]- 225.088071 163.7
[M+CH3COO]- 239.103721 191.3
[M+Na-2H]- 201.064536 141.8
[M]+ 180.08932142 138.9
[M]- 180.09041858 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

literature stripe

Patent stripe

No patent data available for this compound.