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
5-tert-butyl-2-(pyridin-3-ylmethyl)pyrazol-3-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]+ 231.16043 155.6
[M+Na]+ 253.14237 164.2
[M-H]- 229.14587 158.5
[M+NH4]+ 248.18697 171.3
[M+K]+ 269.11631 160.3
[M+H-H2O]+ 213.15041 146.9
[M+HCOO]- 275.15135 176.0
[M+CH3COO]- 289.16700 193.3
[M+Na-2H]- 251.12782 160.3
[M]+ 230.15260 155.2
[M]- 230.15370 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.