CID 18789679

(2-methoxy-3-nitrophenyl)methanol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
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

No literature data available for this compound.

Patent stripe

patents stripe