CID 140718

1-(dimethoxymethyl)-2-nitrobenzene

Structural Information

Molecular Formula
C9H11NO4
SMILES
COC(C1=CC=CC=C1[N+](=O)[O-])OC
InChI
InChI=1S/C9H11NO4/c1-13-9(14-2)7-5-3-4-6-8(7)10(11)12/h3-6,9H,1-2H3
InChIKey
OAPZTGKQZKPVPF-UHFFFAOYSA-N
Compound name
1-(dimethoxymethyl)-2-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

59
Patents

197.0688 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.076076 139.8
[M+Na]+ 220.058018 146.6
[M-H]- 196.061524 143.7
[M+NH4]+ 215.102623 158.3
[M+K]+ 236.031958 142.5
[M+H-H2O]+ 180.066060 138.4
[M+HCOO]- 242.067001 165.0
[M+CH3COO]- 256.082651 178.6
[M+Na-2H]- 218.043466 147.0
[M]+ 197.06825142 141.2
[M]- 197.06934858 141.2
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