CID 10487701

136507-14-7

Structural Information

Molecular Formula
C8H9NO4
SMILES
COC1=C(C=CC(=C1)[N+](=O)[O-])CO
InChI
InChI=1S/C8H9NO4/c1-13-8-4-7(9(11)12)3-2-6(8)5-10/h2-4,10H,5H2,1H3
InChIKey
IWXYLEKOKGKRTN-UHFFFAOYSA-N
Compound name
(2-methoxy-4-nitrophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

183.05316 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.06044 134.5
[M+Na]+ 206.04238 147.5
[M+NH4]+ 201.08698 142.2
[M+K]+ 222.01632 144.9
[M-H]- 182.04588 136.9
[M+Na-2H]- 204.02783 140.4
[M]+ 183.05261 136.8
[M]- 183.05371 136.8
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