CID 28373961

1152940-07-2

Structural Information

Molecular Formula
C9H10N4
SMILES
C1=CC(=CN=C1)CN2C=C(C=N2)N
InChI
InChI=1S/C9H10N4/c10-9-5-12-13(7-9)6-8-2-1-3-11-4-8/h1-5,7H,6,10H2
InChIKey
KPFPBSVHCXXCJM-UHFFFAOYSA-N
Compound name
1-(pyridin-3-ylmethyl)pyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

174.09055 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.09783 135.4
[M+Na]+ 197.07977 144.3
[M-H]- 173.08327 138.1
[M+NH4]+ 192.12437 152.8
[M+K]+ 213.05371 140.9
[M+H-H2O]+ 157.08781 126.4
[M+HCOO]- 219.08875 158.7
[M+CH3COO]- 233.10440 148.4
[M+Na-2H]- 195.06522 142.4
[M]+ 174.09000 133.8
[M]- 174.09110 133.8
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