CID 80812

Einecs 229-014-7

Structural Information

Molecular Formula
C10H11N3
SMILES
CC1=NN(C(=N)C1)C2=CC=CC=C2
InChI
InChI=1S/C10H11N3/c1-8-7-10(11)13(12-8)9-5-3-2-4-6-9/h2-6,11H,7H2,1H3
InChIKey
VOQQGERWJRIHIK-UHFFFAOYSA-N
Compound name
5-methyl-2-phenyl-4H-pyrazol-3-imine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

23
Patents

173.09529 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.102566 136.1
[M+Na]+ 196.084508 144.8
[M-H]- 172.088014 140.6
[M+NH4]+ 191.129113 155.3
[M+K]+ 212.058448 141.3
[M+H-H2O]+ 156.092550 128.1
[M+HCOO]- 218.093491 159.8
[M+CH3COO]- 232.109141 149.6
[M+Na-2H]- 194.069956 141.8
[M]+ 173.09474142 133.6
[M]- 173.09583858 133.6
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