CID 28963811

(2-ethoxy-5-nitrophenyl)methanol

Structural Information

Molecular Formula
C9H11NO4
SMILES
CCOC1=C(C=C(C=C1)[N+](=O)[O-])CO
InChI
InChI=1S/C9H11NO4/c1-2-14-9-4-3-8(10(12)13)5-7(9)6-11/h3-5,11H,2,6H2,1H3
InChIKey
JOOFPLFFIISCIY-UHFFFAOYSA-N
Compound name
(2-ethoxy-5-nitrophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

197.0688 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.07608 139.4
[M+Na]+ 220.05802 146.9
[M-H]- 196.06152 142.2
[M+NH4]+ 215.10262 157.6
[M+K]+ 236.03196 141.4
[M+H-H2O]+ 180.06606 138.3
[M+HCOO]- 242.06700 164.1
[M+CH3COO]- 256.08265 176.2
[M+Na-2H]- 218.04347 146.7
[M]+ 197.06825 140.0
[M]- 197.06935 140.0
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