CID 608928

1080-89-3

Structural Information

Molecular Formula
C10H9N3O2
SMILES
CC1=C(C(=O)N(N1)C2=CC=CC=C2)N=O
InChI
InChI=1S/C10H9N3O2/c1-7-9(12-15)10(14)13(11-7)8-5-3-2-4-6-8/h2-6,11H,1H3
InChIKey
DTYABAPGESPUEA-UHFFFAOYSA-N
Compound name
5-methyl-4-nitroso-2-phenyl-1H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

10
Patents

203.06947 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.07675 140.0
[M+Na]+ 226.05869 150.7
[M-H]- 202.06219 145.4
[M+NH4]+ 221.10329 158.2
[M+K]+ 242.03263 147.4
[M+H-H2O]+ 186.06673 132.1
[M+HCOO]- 248.06767 165.8
[M+CH3COO]- 262.08332 186.1
[M+Na-2H]- 224.04414 146.0
[M]+ 203.06892 141.4
[M]- 203.07002 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

literature stripe

Patent stripe

patents stripe