CID 49769272

[3,5-me2bpzah2][aucl4]cl

Structural Information

Molecular Formula
C11H18N4
SMILES
CC1=CC(=[N+](N1)C[N+]2=C(C=C(N2)C)C)C
InChI
InChI=1S/C11H16N4/c1-8-5-10(3)14(12-8)7-15-11(4)6-9(2)13-15/h5-6H,7H2,1-4H3/p+2
InChIKey
LGQXVRIHIPWAFZ-UHFFFAOYSA-P
Compound name
2-[(3,5-dimethyl-1H-pyrazol-2-ium-2-yl)methyl]-3,5-dimethyl-1H-pyrazol-2-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

206.15315 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.16043 147.9
[M+Na]+ 229.14237 159.0
[M-H]- 205.14587 149.2
[M+NH4]+ 224.18697 164.0
[M+K]+ 245.11631 143.6
[M+H-H2O]+ 189.15041 145.3
[M+HCOO]- 251.15135 167.1
[M+CH3COO]- 265.16700 171.6
[M+Na-2H]- 227.12782 154.6
[M]+ 206.15260 146.2
[M]- 206.15370 146.2
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.