CID 483265

2-[5-methyl-3-(5-methyl-isoxazol-3-yl)-4-nitroso-pyrazol-1-yl]-ethanol

Structural Information

Molecular Formula
C10H12N4O3
SMILES
CC1=CC(=NO1)C2=NN(C(=C2N=O)C)CCO
InChI
InChI=1S/C10H12N4O3/c1-6-5-8(13-17-6)10-9(12-16)7(2)14(11-10)3-4-15/h5,15H,3-4H2,1-2H3
InChIKey
AWYDZVQKUQTXIE-UHFFFAOYSA-N
Compound name
2-[5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-4-nitrosopyrazol-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

236.09094 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.09822 148.4
[M+Na]+ 259.08016 160.3
[M-H]- 235.08366 153.9
[M+NH4]+ 254.12476 164.8
[M+K]+ 275.05410 159.1
[M+H-H2O]+ 219.08820 140.5
[M+HCOO]- 281.08914 174.0
[M+CH3COO]- 295.10479 193.1
[M+Na-2H]- 257.06561 152.6
[M]+ 236.09039 155.6
[M]- 236.09149 155.6
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.