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 165.1
[M+Na]+ 290.15875 172.4
[M-H]- 266.16225 167.0
[M+NH4]+ 285.20335 179.7
[M+K]+ 306.13269 170.9
[M+H-H2O]+ 250.16679 156.6
[M+HCOO]- 312.16773 182.0
[M+CH3COO]- 326.18338 198.3
[M+Na-2H]- 288.14420 164.2
[M]+ 267.16898 164.5
[M]- 267.17008 164.5
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.