CID 137944657

2287285-13-4

Structural Information

Molecular Formula
C15H27N5O2
SMILES
CC(C)(C)OC(=O)N1CCN(C(C1)C2=NC=CN2C)CCN
InChI
InChI=1S/C15H27N5O2/c1-15(2,3)22-14(21)20-10-9-19(7-5-16)12(11-20)13-17-6-8-18(13)4/h6,8,12H,5,7,9-11,16H2,1-4H3
InChIKey
VHXMWVLYFODZNC-UHFFFAOYSA-N
Compound name
tert-butyl 4-(2-aminoethyl)-3-(1-methylimidazol-2-yl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.21646 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.22374 179.1
[M+Na]+ 332.20568 184.5
[M-H]- 308.20918 179.8
[M+NH4]+ 327.25028 190.1
[M+K]+ 348.17962 181.8
[M+H-H2O]+ 292.21372 169.6
[M+HCOO]- 354.21466 192.7
[M+CH3COO]- 368.23031 207.4
[M+Na-2H]- 330.19113 178.2
[M]+ 309.21591 177.4
[M]- 309.21701 177.4
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.