CID 11355878

2-(methoxymethyl)-4-nitrophenol

Structural Information

Molecular Formula
C8H9NO4
SMILES
COCC1=C(C=CC(=C1)[N+](=O)[O-])O
InChI
InChI=1S/C8H9NO4/c1-13-5-6-4-7(9(11)12)2-3-8(6)10/h2-4,10H,5H2,1H3
InChIKey
LDKUCBVEAIZHKZ-UHFFFAOYSA-N
Compound name
2-(methoxymethyl)-4-nitrophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

183.05316 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.060436 134.5
[M+Na]+ 206.042378 142.5
[M-H]- 182.045884 137.5
[M+NH4]+ 201.086983 153.3
[M+K]+ 222.016318 137.2
[M+H-H2O]+ 166.050420 133.7
[M+HCOO]- 228.051361 159.6
[M+CH3COO]- 242.067011 173.1
[M+Na-2H]- 204.027826 142.4
[M]+ 183.05261142 134.7
[M]- 183.05370858 134.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe