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]+ 266.18630 165.9
[M+Na]+ 288.16824 172.8
[M-H]- 264.17174 167.8
[M+NH4]+ 283.21284 181.7
[M+K]+ 304.14218 170.4
[M+H-H2O]+ 248.17628 158.6
[M+HCOO]- 310.17722 181.5
[M+CH3COO]- 324.19287 195.1
[M+Na-2H]- 286.15369 164.0
[M]+ 265.17847 165.4
[M]- 265.17957 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.