CID 137935976

2125723-78-4

Structural Information

Molecular Formula
C13H20IN3O2
SMILES
CC(C)(C)OC(=O)N1CCCCC1C2=NC=C(N2)I
InChI
InChI=1S/C13H20IN3O2/c1-13(2,3)19-12(18)17-7-5-4-6-9(17)11-15-8-10(14)16-11/h8-9H,4-7H2,1-3H3,(H,15,16)
InChIKey
VZRHVBOJVAOGRU-UHFFFAOYSA-N
Compound name
tert-butyl 2-(5-iodo-1H-imidazol-2-yl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

377.06003 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.06731 169.7
[M+Na]+ 400.04925 168.4
[M-H]- 376.05275 163.8
[M+NH4]+ 395.09385 178.6
[M+K]+ 416.02319 171.4
[M+H-H2O]+ 360.05729 158.1
[M+HCOO]- 422.05823 178.7
[M+CH3COO]- 436.07388 201.0
[M+Na-2H]- 398.03470 158.8
[M]+ 377.05948 164.0
[M]- 377.06058 164.0
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

patents stripe