CID 124679564

Rac-(3r,4s)-4-(1,5-dimethyl-1h-pyrazol-4-yl)pyrrolidine-3-carboxamide

Structural Information

Molecular Formula
C10H16N4O
SMILES
CC1=C(C=NN1C)[C@@H]2CNC[C@H]2C(=O)N
InChI
InChI=1S/C10H16N4O/c1-6-7(5-13-14(6)2)8-3-12-4-9(8)10(11)15/h5,8-9,12H,3-4H2,1-2H3,(H2,11,15)/t8-,9+/m0/s1
InChIKey
RVSSCNUDARFCGB-DTWKUNHWSA-N
Compound name
(3S,4R)-4-(1,5-dimethylpyrazol-4-yl)pyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.13242 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.139696 148.4
[M+Na]+ 231.121638 155.8
[M-H]- 207.125144 150.1
[M+NH4]+ 226.166243 165.7
[M+K]+ 247.095578 152.9
[M+H-H2O]+ 191.129680 140.4
[M+HCOO]- 253.130621 167.2
[M+CH3COO]- 267.146271 186.4
[M+Na-2H]- 229.107086 147.1
[M]+ 208.13187142 144.1
[M]- 208.13296858 144.1
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.