CID 385987

3,5-dimethyl-4-nitroso-1h-pyrazole

Structural Information

Molecular Formula
C5H7N3O
SMILES
CC1=C(C(=NN1)C)N=O
InChI
InChI=1S/C5H7N3O/c1-3-5(8-9)4(2)7-6-3/h1-2H3,(H,6,7)
InChIKey
YATNSGHJIRFYKI-UHFFFAOYSA-N
Compound name
3,5-dimethyl-4-nitroso-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

125.058914 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.06619 121.7
[M+Na]+ 148.04813 132.0
[M-H]- 124.05164 123.6
[M+NH4]+ 143.09274 143.3
[M+K]+ 164.02207 131.0
[M+H-H2O]+ 108.05617 115.2
[M+HCOO]- 170.05712 147.2
[M+CH3COO]- 184.07276 172.9
[M+Na-2H]- 146.03358 128.6
[M]+ 125.05837 122.6
[M]- 125.05946 122.6
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