CID 602961

80866-88-2

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

427
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 142.5
[M-H]- 182.04588 137.5
[M+NH4]+ 201.08698 153.3
[M+K]+ 222.01632 137.2
[M+H-H2O]+ 166.05042 133.7
[M+HCOO]- 228.05136 159.6
[M+CH3COO]- 242.06701 173.1
[M+Na-2H]- 204.02783 142.4
[M]+ 183.05261 134.7
[M]- 183.05371 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

literature stripe

Patent stripe

patents stripe