CID 155820571

2460739-78-8

Structural Information

Molecular Formula
C12H19BrN4O2
SMILES
CC(C)(C)OC(=O)N1CCC[C@@H]1C2=NN=C(N2C)Br
InChI
InChI=1S/C12H19BrN4O2/c1-12(2,3)19-11(18)17-7-5-6-8(17)9-14-15-10(13)16(9)4/h8H,5-7H2,1-4H3/t8-/m1/s1
InChIKey
LVMPYFVDGSVFMK-MRVPVSSYSA-N
Compound name
tert-butyl (2R)-2-(5-bromo-4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.06915 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.07643 170.2
[M+Na]+ 353.05837 181.8
[M-H]- 329.06187 175.3
[M+NH4]+ 348.10297 186.9
[M+K]+ 369.03231 172.1
[M+H-H2O]+ 313.06641 168.7
[M+HCOO]- 375.06735 185.0
[M+CH3COO]- 389.08300 202.9
[M+Na-2H]- 351.04382 171.1
[M]+ 330.06860 189.8
[M]- 330.06970 189.8
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.