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 183.2
[M+Na]+ 346.19888 187.4
[M-H]- 322.20238 185.1
[M+NH4]+ 341.24348 200.6
[M+K]+ 362.17282 185.3
[M+H-H2O]+ 306.20692 176.5
[M+HCOO]- 368.20786 201.0
[M+CH3COO]- 382.22351 208.3
[M+Na-2H]- 344.18433 179.3
[M]+ 323.20911 187.8
[M]- 323.21021 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.