CID 137964382

2227686-00-0

Structural Information

Molecular Formula
C12H21N5O2
SMILES
CC(C)(C)OC(=O)N1CCC[C@@H]1C2=NN(C(=N2)N)C
InChI
InChI=1S/C12H21N5O2/c1-12(2,3)19-11(18)17-7-5-6-8(17)9-14-10(13)16(4)15-9/h8H,5-7H2,1-4H3,(H2,13,14,15)/t8-/m1/s1
InChIKey
WSBNRKHMRURKBR-MRVPVSSYSA-N
Compound name
tert-butyl (2R)-2-(5-amino-1-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.16953 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.17681 162.0
[M+Na]+ 290.15875 169.5
[M+NH4]+ 285.20335 166.5
[M+K]+ 306.13269 171.0
[M-H]- 266.16225 160.8
[M+Na-2H]- 288.14420 164.3
[M]+ 267.16898 162.2
[M]- 267.17008 162.2
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

No patent data available for this compound.