CID 38315

P-nitrophenylacetamidine hydrochloride

Structural Information

Molecular Formula
C8H9N3O2
SMILES
C1=CC(=CC=C1CC(=N)N)[N+](=O)[O-]
InChI
InChI=1S/C8H9N3O2/c9-8(10)5-6-1-3-7(4-2-6)11(12)13/h1-4H,5H2,(H3,9,10)
InChIKey
GQBBCZNEDGPMCS-UHFFFAOYSA-N
Compound name
2-(4-nitrophenyl)ethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

179.06947 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.07675 133.9
[M+Na]+ 202.05869 139.7
[M-H]- 178.06219 137.2
[M+NH4]+ 197.10329 152.0
[M+K]+ 218.03263 133.7
[M+H-H2O]+ 162.06673 132.2
[M+HCOO]- 224.06767 160.5
[M+CH3COO]- 238.08332 179.2
[M+Na-2H]- 200.04414 141.1
[M]+ 179.06892 128.8
[M]- 179.07002 128.8
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