CID 71695428

1,3-dimethyl-4-(pyrrolidin-2-yl)-1h-pyrazole

Structural Information

Molecular Formula
C9H15N3
SMILES
CC1=NN(C=C1C2CCCN2)C
InChI
InChI=1S/C9H15N3/c1-7-8(6-12(2)11-7)9-4-3-5-10-9/h6,9-10H,3-5H2,1-2H3
InChIKey
IUNGWTMPLYCVBS-UHFFFAOYSA-N
Compound name
1,3-dimethyl-4-pyrrolidin-2-ylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

165.1266 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.13388 137.7
[M+Na]+ 188.11582 145.7
[M-H]- 164.11932 139.3
[M+NH4]+ 183.16042 157.3
[M+K]+ 204.08976 143.1
[M+H-H2O]+ 148.12386 129.7
[M+HCOO]- 210.12480 157.0
[M+CH3COO]- 224.14045 150.2
[M+Na-2H]- 186.10127 139.0
[M]+ 165.12605 134.2
[M]- 165.12715 134.2
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

patents stripe