CID 3063795

Brn 5745236

Structural Information

Molecular Formula
C10H7N5O
SMILES
C1=CC=C(C=C1)N2C=C(C=N2)[N+](=NC#N)[O-]
InChI
InChI=1S/C10H7N5O/c11-8-13-15(16)10-6-12-14(7-10)9-4-2-1-3-5-9/h1-7H
InChIKey
AKLLTGCBBZLPQX-UHFFFAOYSA-N
Compound name
cyanoimino-oxido-(1-phenylpyrazol-4-yl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.06506 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.072336 149.0
[M+Na]+ 236.054278 157.5
[M-H]- 212.057784 152.4
[M+NH4]+ 231.098883 163.4
[M+K]+ 252.028218 150.2
[M+H-H2O]+ 196.062320 136.6
[M+HCOO]- 258.063261 171.2
[M+CH3COO]- 272.078911 195.9
[M+Na-2H]- 234.039726 156.5
[M]+ 213.06451142 141.4
[M]- 213.06560858 141.4
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.