CID 23500036

160219-76-1

Structural Information

Molecular Formula
C9H11N3O2
SMILES
C=CCNC1=C(C=C(C=C1)N)[N+](=O)[O-]
InChI
InChI=1S/C9H11N3O2/c1-2-5-11-8-4-3-7(10)6-9(8)12(13)14/h2-4,6,11H,1,5,10H2
InChIKey
CXRMOOSWBWJUCI-UHFFFAOYSA-N
Compound name
2-nitro-1-N-prop-2-enylbenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1026
Patents

193.08513 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.092406 138.4
[M+Na]+ 216.074348 145.0
[M-H]- 192.077854 141.9
[M+NH4]+ 211.118953 156.4
[M+K]+ 232.048288 138.2
[M+H-H2O]+ 176.082390 136.6
[M+HCOO]- 238.083331 165.7
[M+CH3COO]- 252.098981 182.7
[M+Na-2H]- 214.059796 145.7
[M]+ 193.08458142 134.7
[M]- 193.08567858 134.7
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