CID 2795511

151978-66-4

Structural Information

Molecular Formula
C15H21IN2O2
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)I
InChI
InChI=1S/C15H21IN2O2/c1-15(2,3)20-14(19)18-10-8-17(9-11-18)13-6-4-12(16)5-7-13/h4-7H,8-11H2,1-3H3
InChIKey
ZOWJTZMYSLZILG-UHFFFAOYSA-N
Compound name
tert-butyl 4-(4-iodophenyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

181
Patents

388.0648 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.07208 173.2
[M+Na]+ 411.05402 171.5
[M-H]- 387.05752 169.2
[M+NH4]+ 406.09862 181.7
[M+K]+ 427.02796 174.8
[M+H-H2O]+ 371.06206 161.1
[M+HCOO]- 433.06300 183.4
[M+CH3COO]- 447.07865 206.4
[M+Na-2H]- 409.03947 164.1
[M]+ 388.06425 168.5
[M]- 388.06535 168.5
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

patents stripe