CID 3620044

547730-06-3

Structural Information

Molecular Formula
C14H22N2O4
SMILES
C1CC(OC1)C(=O)N2CCN(CC2)C(=O)C3CCCO3
InChI
InChI=1S/C14H22N2O4/c17-13(11-3-1-9-19-11)15-5-7-16(8-6-15)14(18)12-4-2-10-20-12/h11-12H,1-10H2
InChIKey
PDNVQJDNOKBJSF-UHFFFAOYSA-N
Compound name
[4-(oxolane-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.15796 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.16524 167.0
[M+Na]+ 305.14718 168.3
[M-H]- 281.15068 173.5
[M+NH4]+ 300.19178 179.6
[M+K]+ 321.12112 169.4
[M+H-H2O]+ 265.15522 159.0
[M+HCOO]- 327.15616 178.8
[M+CH3COO]- 341.17181 194.7
[M+Na-2H]- 303.13263 163.2
[M]+ 282.15741 160.6
[M]- 282.15851 160.6
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.