CID 54593547

1-(1-methyl-1h-pyrazol-4-yl)piperidin-3-amine

Structural Information

Molecular Formula
C9H16N4
SMILES
CN1C=C(C=N1)N2CCCC(C2)N
InChI
InChI=1S/C9H16N4/c1-12-7-9(5-11-12)13-4-2-3-8(10)6-13/h5,7-8H,2-4,6,10H2,1H3
InChIKey
ZZHPYRMKQBXJDI-UHFFFAOYSA-N
Compound name
1-(1-methylpyrazol-4-yl)piperidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

180.1375 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.14478 141.4
[M+Na]+ 203.12672 148.1
[M-H]- 179.13022 143.3
[M+NH4]+ 198.17132 158.5
[M+K]+ 219.10066 145.4
[M+H-H2O]+ 163.13476 132.4
[M+HCOO]- 225.13570 160.3
[M+CH3COO]- 239.15135 153.0
[M+Na-2H]- 201.11217 144.3
[M]+ 180.13695 135.8
[M]- 180.13805 135.8
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