CID 5354204

5395-47-1

Structural Information

Molecular Formula
C10H11NO4
SMILES
C/C(=C/C1=CC(=C(C=C1)O)OC)/[N+](=O)[O-]
InChI
InChI=1S/C10H11NO4/c1-7(11(13)14)5-8-3-4-9(12)10(6-8)15-2/h3-6,12H,1-2H3/b7-5-
InChIKey
FDLWTEUMNRJFCS-ALCCZGGFSA-N
Compound name
2-methoxy-4-[(Z)-2-nitroprop-1-enyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.0688 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.07608 142.8
[M+Na]+ 232.05802 150.0
[M-H]- 208.06152 145.6
[M+NH4]+ 227.10262 160.4
[M+K]+ 248.03196 144.2
[M+H-H2O]+ 192.06606 141.8
[M+HCOO]- 254.06700 166.4
[M+CH3COO]- 268.08265 178.3
[M+Na-2H]- 230.04347 148.4
[M]+ 209.06825 142.3
[M]- 209.06935 142.3
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