CID 83351

2,6-dimethyl-4-nitrosophenol

Structural Information

Molecular Formula
C8H9NO2
SMILES
CC1=CC(=CC(=C1O)C)N=O
InChI
InChI=1S/C8H9NO2/c1-5-3-7(9-11)4-6(2)8(5)10/h3-4,10H,1-2H3
InChIKey
JLGGFXVVFUIJBA-UHFFFAOYSA-N
Compound name
2,6-dimethyl-4-nitrosophenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

51
Patents

151.06332 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07060 126.8
[M+Na]+ 174.05254 136.9
[M-H]- 150.05604 131.7
[M+NH4]+ 169.09714 148.5
[M+K]+ 190.02648 135.7
[M+H-H2O]+ 134.06058 121.6
[M+HCOO]- 196.06152 153.4
[M+CH3COO]- 210.07717 179.7
[M+Na-2H]- 172.03799 133.9
[M]+ 151.06277 129.0
[M]- 151.06387 129.0
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