CID 30464906

90558-55-7

Structural Information

Molecular Formula
C9H10N4
SMILES
CC1=CC(=NN1C2=NC=CC=N2)C
InChI
InChI=1S/C9H10N4/c1-7-6-8(2)13(12-7)9-10-4-3-5-11-9/h3-6H,1-2H3
InChIKey
JLSPPWOUWBWYTQ-UHFFFAOYSA-N
Compound name
2-(3,5-dimethylpyrazol-1-yl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

174.09055 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.09783 136.6
[M+Na]+ 197.07977 147.4
[M-H]- 173.08327 138.7
[M+NH4]+ 192.12437 153.5
[M+K]+ 213.05371 144.2
[M+H-H2O]+ 157.08781 127.4
[M+HCOO]- 219.08875 158.0
[M+CH3COO]- 233.10440 150.0
[M+Na-2H]- 195.06522 143.1
[M]+ 174.09000 137.5
[M]- 174.09110 137.5
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

patents stripe