CID 67363636

5-methyl-4-(pyridin-3-yl)-1h-pyrazol-3-amine

Structural Information

Molecular Formula
C9H10N4
SMILES
CC1=C(C(=NN1)N)C2=CN=CC=C2
InChI
InChI=1S/C9H10N4/c1-6-8(9(10)13-12-6)7-3-2-4-11-5-7/h2-5H,1H3,(H3,10,12,13)
InChIKey
QYWMXRVEBZKWSR-UHFFFAOYSA-N
Compound name
5-methyl-4-pyridin-3-yl-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

174.09055 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.09783 136.5
[M+Na]+ 197.07977 146.0
[M-H]- 173.08327 138.3
[M+NH4]+ 192.12437 153.5
[M+K]+ 213.05371 141.6
[M+H-H2O]+ 157.08781 128.1
[M+HCOO]- 219.08875 158.4
[M+CH3COO]- 233.10440 149.2
[M+Na-2H]- 195.06522 142.2
[M]+ 174.09000 133.5
[M]- 174.09110 133.5
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