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]+ 324.21694 182.1
[M+Na]+ 346.19888 187.2
[M-H]- 322.20238 184.9
[M+NH4]+ 341.24348 200.0
[M+K]+ 362.17282 186.4
[M+H-H2O]+ 306.20692 177.6
[M+HCOO]- 368.20786 196.9
[M+CH3COO]- 382.22351 207.9
[M+Na-2H]- 344.18433 181.1
[M]+ 323.20911 185.8
[M]- 323.21021 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.