CID 31646

23107-11-1

Structural Information

Molecular Formula
C16H25NO5
SMILES
CC(C)C(C(C)OC)(C(=O)OCC1=C2[C@H](CCN2C=C1)O)O
InChI
InChI=1S/C16H25NO5/c1-10(2)16(20,11(3)21-4)15(19)22-9-12-5-7-17-8-6-13(18)14(12)17/h5,7,10-11,13,18,20H,6,8-9H2,1-4H3/t11?,13-,16?/m0/s1
InChIKey
KYSOVPPHGLNVRV-ULKWEWGCSA-N
Compound name
[(7S)-7-hydroxy-6,7-dihydro-5H-pyrrolizin-1-yl]methyl 2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.17328 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.18056 176.1
[M+Na]+ 334.16250 180.7
[M-H]- 310.16600 176.4
[M+NH4]+ 329.20710 192.6
[M+K]+ 350.13644 179.8
[M+H-H2O]+ 294.17054 171.2
[M+HCOO]- 356.17148 190.4
[M+CH3COO]- 370.18713 202.1
[M+Na-2H]- 332.14795 173.8
[M]+ 311.17273 178.9
[M]- 311.17383 178.9
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.