CID 122164061

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

Structural Information

Molecular Formula
C14H23N3O2
SMILES
CC1=C(C=NN1C)[C@@H]2CNC[C@H]2C(=O)OC(C)(C)C
InChI
InChI=1S/C14H23N3O2/c1-9-10(8-16-17(9)5)11-6-15-7-12(11)13(18)19-14(2,3)4/h8,11-12,15H,6-7H2,1-5H3/t11-,12+/m0/s1
InChIKey
ANSXENIQCWFTMP-NWDGAFQWSA-N
Compound name
tert-butyl (3S,4R)-4-(1,5-dimethylpyrazol-4-yl)pyrrolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.17902 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.186296 165.9
[M+Na]+ 288.168238 172.8
[M-H]- 264.171744 167.8
[M+NH4]+ 283.212843 181.7
[M+K]+ 304.142178 170.4
[M+H-H2O]+ 248.176280 158.6
[M+HCOO]- 310.177221 181.5
[M+CH3COO]- 324.192871 195.1
[M+Na-2H]- 286.153686 164.0
[M]+ 265.17847142 165.4
[M]- 265.17956858 165.4
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.