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]+ 324.216936 183.2
[M+Na]+ 346.198878 187.4
[M-H]- 322.202384 185.1
[M+NH4]+ 341.243483 200.6
[M+K]+ 362.172818 185.3
[M+H-H2O]+ 306.206920 176.5
[M+HCOO]- 368.207861 201.0
[M+CH3COO]- 382.223511 208.3
[M+Na-2H]- 344.184326 179.3
[M]+ 323.20911142 187.8
[M]- 323.21020858 187.8
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.