CID 139022575

2155546-36-2

Structural Information

Molecular Formula
C9H16N4
SMILES
CC1=NN(C(=C1)N2CCC(C2)N)C
InChI
InChI=1S/C9H16N4/c1-7-5-9(12(2)11-7)13-4-3-8(10)6-13/h5,8H,3-4,6,10H2,1-2H3
InChIKey
VRZVTHUVFQQZPT-UHFFFAOYSA-N
Compound name
1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.1375 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.144776 140.9
[M+Na]+ 203.126718 149.3
[M-H]- 179.130224 143.8
[M+NH4]+ 198.171323 160.3
[M+K]+ 219.100658 147.0
[M+H-H2O]+ 163.134760 132.6
[M+HCOO]- 225.135701 162.0
[M+CH3COO]- 239.151351 183.8
[M+Na-2H]- 201.112166 141.5
[M]+ 180.13695142 138.0
[M]- 180.13804858 138.0
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.