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]+ 198.076076 139.4
[M+Na]+ 220.058018 146.9
[M-H]- 196.061524 142.2
[M+NH4]+ 215.102623 157.6
[M+K]+ 236.031958 141.4
[M+H-H2O]+ 180.066060 138.3
[M+HCOO]- 242.067001 164.1
[M+CH3COO]- 256.082651 176.2
[M+Na-2H]- 218.043466 146.7
[M]+ 197.06825142 140.0
[M]- 197.06934858 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