CID 75480354

1542668-25-6

Structural Information

Molecular Formula
C9H16N4
SMILES
CC1=CC(=NN1)N2CCC(CC2)N
InChI
InChI=1S/C9H16N4/c1-7-6-9(12-11-7)13-4-2-8(10)3-5-13/h6,8H,2-5,10H2,1H3,(H,11,12)
InChIKey
HQGTWFNPNNGMJL-UHFFFAOYSA-N
Compound name
1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

180.1375 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.144776 141.9
[M+Na]+ 203.126718 148.2
[M-H]- 179.130224 142.5
[M+NH4]+ 198.171323 158.4
[M+K]+ 219.100658 144.6
[M+H-H2O]+ 163.134760 133.3
[M+HCOO]- 225.135701 159.4
[M+CH3COO]- 239.151351 152.8
[M+Na-2H]- 201.112166 144.4
[M]+ 180.13695142 134.5
[M]- 180.13804858 134.5
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