CID 9578646

Brn 3377075

Structural Information

Molecular Formula
C10H13N5O2
SMILES
C/C(=N\N=C(\N)/N[N+](=O)[O-])/CC1=CC=CC=C1
InChI
InChI=1S/C10H13N5O2/c1-8(7-9-5-3-2-4-6-9)12-13-10(11)14-15(16)17/h2-6H,7H2,1H3,(H3,11,13,14)/b12-8+
InChIKey
XHLPHOLPTBVENP-XYOKQWHBSA-N
Compound name
1-nitro-2-[(E)-1-phenylpropan-2-ylideneamino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.10692 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.11420 148.3
[M+Na]+ 258.09614 151.5
[M-H]- 234.09964 153.6
[M+NH4]+ 253.14074 164.4
[M+K]+ 274.07008 146.9
[M+H-H2O]+ 218.10418 144.5
[M+HCOO]- 280.10512 178.3
[M+CH3COO]- 294.12077 197.3
[M+Na-2H]- 256.08159 155.7
[M]+ 235.10637 144.0
[M]- 235.10747 144.0
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

No patent data available for this compound.