CID 2852154

106087-08-5

Structural Information

Molecular Formula
C10H14N3
SMILES
C[N+]1(CCC(=N1)N)C2=CC=CC=C2
InChI
InChI=1S/C10H14N3/c1-13(8-7-10(11)12-13)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H2,11,12)/q+1
InChIKey
CQFCMCLJTPNDPB-UHFFFAOYSA-N
Compound name
2-methyl-2-phenyl-3,4-dihydropyrazol-2-ium-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.11877 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.12605 134.8
[M+Na]+ 199.10799 149.4
[M+NH4]+ 194.15259 146.3
[M+K]+ 215.08193 143.1
[M-H]- 175.11149 140.2
[M+Na-2H]- 197.09344 145.8
[M]+ 176.11822 138.9
[M]- 176.11932 138.9
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.