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]+ 181.09715 135.9
[M+Na]+ 203.07909 144.8
[M-H]- 179.08259 142.0
[M+NH4]+ 198.12369 156.7
[M+K]+ 219.05303 144.7
[M+H-H2O]+ 163.08713 129.7
[M+HCOO]- 225.08807 163.7
[M+CH3COO]- 239.10372 191.3
[M+Na-2H]- 201.06454 141.8
[M]+ 180.08932 138.9
[M]- 180.09042 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.