CID 43040

7,9-di-n-valerylheliotridine

Structural Information

Molecular Formula
C18H29NO4
SMILES
CCCCC(=O)OCC1=CCN2C1[C@H](CC2)OC(=O)CCCC
InChI
InChI=1S/C18H29NO4/c1-3-5-7-16(20)22-13-14-9-11-19-12-10-15(18(14)19)23-17(21)8-6-4-2/h9,15,18H,3-8,10-13H2,1-2H3/t15-,18?/m0/s1
InChIKey
RNPFYZLWVMKCHI-BUSXIPJBSA-N
Compound name
[(7S)-7-pentanoyloxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.20966 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.21694 180.9
[M+Na]+ 346.19888 186.9
[M+NH4]+ 341.24348 186.2
[M+K]+ 362.17282 185.5
[M-H]- 322.20238 179.1
[M+Na-2H]- 344.18433 179.5
[M]+ 323.20911 180.6
[M]- 323.21021 180.6
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.