CID 3033169

7,9-dipivalylheliotridine

Structural Information

Molecular Formula
C18H29NO4
SMILES
CC(C)(C)C(=O)OCC1=CCN2[C@H]1[C@H](CC2)OC(=O)C(C)(C)C
InChI
InChI=1S/C18H29NO4/c1-17(2,3)15(20)22-11-12-7-9-19-10-8-13(14(12)19)23-16(21)18(4,5)6/h7,13-14H,8-11H2,1-6H3/t13-,14+/m0/s1
InChIKey
PIEVOKXIIFZVQL-UONOGXRCSA-N
Compound name
[(7S,8R)-7-(2,2-dimethylpropanoyloxy)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.20966 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.216936 182.1
[M+Na]+ 346.198878 187.2
[M-H]- 322.202384 184.9
[M+NH4]+ 341.243483 200.0
[M+K]+ 362.172818 186.4
[M+H-H2O]+ 306.206920 177.6
[M+HCOO]- 368.207861 196.9
[M+CH3COO]- 382.223511 207.9
[M+Na-2H]- 344.184326 181.1
[M]+ 323.20911142 185.8
[M]- 323.21020858 185.8
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.