CID 75455913

1461715-04-7

Structural Information

Molecular Formula
C13H18N4
SMILES
CC(C)(C)C1=NN(C(=C1)N)CC2=CN=CC=C2
InChI
InChI=1S/C13H18N4/c1-13(2,3)11-7-12(14)17(16-11)9-10-5-4-6-15-8-10/h4-8H,9,14H2,1-3H3
InChIKey
IDHQPQHATPBXRK-UHFFFAOYSA-N
Compound name
3-tert-butyl-1-(pyridin-3-ylmethyl)pyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.15315 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.160426 155.6
[M+Na]+ 253.142368 164.2
[M-H]- 229.145874 158.5
[M+NH4]+ 248.186973 171.3
[M+K]+ 269.116308 160.3
[M+H-H2O]+ 213.150410 146.9
[M+HCOO]- 275.151351 176.0
[M+CH3COO]- 289.167001 193.3
[M+Na-2H]- 251.127816 160.3
[M]+ 230.15260142 155.2
[M]- 230.15369858 155.2
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.