CID 205041

1,4-bis(isopropoxyacetyl)piperazine

Structural Information

Molecular Formula
C14H26N2O4
SMILES
CC(C)OCC(=O)N1CCN(CC1)C(=O)COC(C)C
InChI
InChI=1S/C14H26N2O4/c1-11(2)19-9-13(17)15-5-7-16(8-6-15)14(18)10-20-12(3)4/h11-12H,5-10H2,1-4H3
InChIKey
BTLCBGDIKOJAQS-UHFFFAOYSA-N
Compound name
2-propan-2-yloxy-1-[4-(2-propan-2-yloxyacetyl)piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

286.18927 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.19655 169.2
[M+Na]+ 309.17849 172.0
[M-H]- 285.18199 168.6
[M+NH4]+ 304.22309 181.9
[M+K]+ 325.15243 172.2
[M+H-H2O]+ 269.18653 161.2
[M+HCOO]- 331.18747 182.6
[M+CH3COO]- 345.20312 202.6
[M+Na-2H]- 307.16394 166.7
[M]+ 286.18872 169.9
[M]- 286.18982 169.9
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