CID 81594

1,1-dimethyl-3-(3-nitrophenyl)urea

Structural Information

Molecular Formula
C9H11N3O3
SMILES
CN(C)C(=O)NC1=CC(=CC=C1)[N+](=O)[O-]
InChI
InChI=1S/C9H11N3O3/c1-11(2)9(13)10-7-4-3-5-8(6-7)12(14)15/h3-6H,1-2H3,(H,10,13)
InChIKey
FRDCRCKHAAQIRU-UHFFFAOYSA-N
Compound name
1,1-dimethyl-3-(3-nitrophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

209.08005 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.08733 142.0
[M+Na]+ 232.06927 147.6
[M-H]- 208.07277 147.2
[M+NH4]+ 227.11387 159.9
[M+K]+ 248.04321 143.7
[M+H-H2O]+ 192.07731 139.7
[M+HCOO]- 254.07825 169.7
[M+CH3COO]- 268.09390 187.2
[M+Na-2H]- 230.05472 149.1
[M]+ 209.07950 140.7
[M]- 209.08060 140.7
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