CID 99847

2-methoxy-4-nitrosophenol

Structural Information

Molecular Formula
C7H7NO3
SMILES
COC1=C(C=CC(=C1)N=O)O
InChI
InChI=1S/C7H7NO3/c1-11-7-4-5(8-10)2-3-6(7)9/h2-4,9H,1H3
InChIKey
YJQITTWUTKLYOO-UHFFFAOYSA-N
Compound name
2-methoxy-4-nitrosophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

29
Patents

153.04259 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.04987 125.6
[M+Na]+ 176.03181 135.1
[M-H]- 152.03531 130.2
[M+NH4]+ 171.07641 146.9
[M+K]+ 192.00575 134.6
[M+H-H2O]+ 136.03985 120.0
[M+HCOO]- 198.04079 152.8
[M+CH3COO]- 212.05644 177.6
[M+Na-2H]- 174.01726 133.9
[M]+ 153.04204 128.5
[M]- 153.04314 128.5
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