CID 12853

3,5-dimethyl-4-nitroso-1-phenylpyrazole

Structural Information

Molecular Formula
C11H11N3O
SMILES
CC1=C(C(=NN1C2=CC=CC=C2)C)N=O
InChI
InChI=1S/C11H11N3O/c1-8-11(13-15)9(2)14(12-8)10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKey
SCHFUNOUOHIHSX-UHFFFAOYSA-N
Compound name
3,5-dimethyl-4-nitroso-1-phenylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

201.09021 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.09749 141.6
[M+Na]+ 224.07943 152.1
[M-H]- 200.08293 148.1
[M+NH4]+ 219.12403 160.7
[M+K]+ 240.05337 149.6
[M+H-H2O]+ 184.08747 133.3
[M+HCOO]- 246.08841 168.2
[M+CH3COO]- 260.10406 190.3
[M+Na-2H]- 222.06488 147.5
[M]+ 201.08966 144.5
[M]- 201.09076 144.5
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