CID 5354204

2-methoxy-4-[(1z)-2-nitroprop-1-en-1-yl]phenol

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

1
Patents

209.0688 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.076076 142.8
[M+Na]+ 232.058018 150.0
[M-H]- 208.061524 145.6
[M+NH4]+ 227.102623 160.4
[M+K]+ 248.031958 144.2
[M+H-H2O]+ 192.066060 141.8
[M+HCOO]- 254.067001 166.4
[M+CH3COO]- 268.082651 178.3
[M+Na-2H]- 230.043466 148.4
[M]+ 209.06825142 142.3
[M]- 209.06934858 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