CID 236019

3,5-dimethyl-4-nitrosophenol

Structural Information

Molecular Formula
C8H9NO2
SMILES
CC1=CC(=CC(=C1N=O)C)O
InChI
InChI=1S/C8H9NO2/c1-5-3-7(10)4-6(2)8(5)9-11/h3-4,10H,1-2H3
InChIKey
ZVUJMNCTXGSXSQ-UHFFFAOYSA-N
Compound name
3,5-dimethyl-4-nitrosophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

151.06332 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07060 128.5
[M+Na]+ 174.05254 141.7
[M+NH4]+ 169.09714 137.0
[M+K]+ 190.02648 135.8
[M-H]- 150.05604 131.2
[M+Na-2H]- 172.03799 135.6
[M]+ 151.06277 131.1
[M]- 151.06387 131.1
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

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