CID 261500

1-(2,4-dinitrophenyl)-1-methylhydrazine

Structural Information

Molecular Formula
C7H8N4O4
SMILES
CN(C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])N
InChI
InChI=1S/C7H8N4O4/c1-9(8)6-3-2-5(10(12)13)4-7(6)11(14)15/h2-4H,8H2,1H3
InChIKey
YMBHFDADJOADTC-UHFFFAOYSA-N
Compound name
1-(2,4-dinitrophenyl)-1-methylhydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

212.05455 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.06183 139.6
[M+Na]+ 235.04377 145.1
[M-H]- 211.04727 144.3
[M+NH4]+ 230.08837 155.7
[M+K]+ 251.01771 137.0
[M+H-H2O]+ 195.05181 141.7
[M+HCOO]- 257.05275 167.8
[M+CH3COO]- 271.06840 183.4
[M+Na-2H]- 233.02922 148.2
[M]+ 212.05400 135.5
[M]- 212.05510 135.5
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