CID 11981

3-methyl-4-nitrosophenol

Structural Information

Molecular Formula
C7H7NO2
SMILES
CC1=C(C=CC(=C1)O)N=O
InChI
InChI=1S/C7H7NO2/c1-5-4-6(9)2-3-7(5)8-10/h2-4,9H,1H3
InChIKey
XGCZABZDVJOWTL-UHFFFAOYSA-N
Compound name
3-methyl-4-nitrosophenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

103
Patents

137.04768 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.05496 122.6
[M+Na]+ 160.03690 132.2
[M-H]- 136.04040 127.3
[M+NH4]+ 155.08150 144.6
[M+K]+ 176.01084 131.2
[M+H-H2O]+ 120.04494 117.4
[M+HCOO]- 182.04588 149.6
[M+CH3COO]- 196.06153 175.5
[M+Na-2H]- 158.02235 131.0
[M]+ 137.04713 124.1
[M]- 137.04823 124.1
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

patents stripe