CID 99167

3426-28-6

Structural Information

Molecular Formula
C9H9N3O2
SMILES
C=CC=NNC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C9H9N3O2/c1-2-7-10-11-8-3-5-9(6-4-8)12(13)14/h2-7,11H,1H2
InChIKey
HDHSVDQIXIKIDQ-UHFFFAOYSA-N
Compound name
4-nitro-N-(prop-2-enylideneamino)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.06947 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.07675 137.6
[M+Na]+ 214.05869 144.0
[M-H]- 190.06219 142.6
[M+NH4]+ 209.10329 156.3
[M+K]+ 230.03263 137.9
[M+H-H2O]+ 174.06673 135.4
[M+HCOO]- 236.06767 167.1
[M+CH3COO]- 250.08332 183.4
[M+Na-2H]- 212.04414 147.0
[M]+ 191.06892 135.6
[M]- 191.07002 135.6
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

No patent data available for this compound.