CID 137964589

2227883-64-7

Structural Information

Molecular Formula
C13H22N4O2
SMILES
CC(C)(C)OC(=O)N[C@@H]1CNC[C@H]1C2=CC=NN2C
InChI
InChI=1S/C13H22N4O2/c1-13(2,3)19-12(18)16-10-8-14-7-9(10)11-5-6-15-17(11)4/h5-6,9-10,14H,7-8H2,1-4H3,(H,16,18)/t9-,10-/m1/s1
InChIKey
CUZGVSADDYEPFX-NXEZZACHSA-N
Compound name
tert-butyl N-[(3S,4R)-4-(2-methylpyrazol-3-yl)pyrrolidin-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1743 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.18158 162.9
[M+Na]+ 289.16352 169.7
[M+NH4]+ 284.20812 167.8
[M+K]+ 305.13746 170.6
[M-H]- 265.16702 162.0
[M+Na-2H]- 287.14897 165.5
[M]+ 266.17375 163.1
[M]- 266.17485 163.1
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.