CID 496831

Nsc699780

Structural Information

Molecular Formula
C16H17NO6
SMILES
COC(=O)C1C2C(CCN2C(=O)C1O)OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C16H17NO6/c1-22-16(21)11-12-10(7-8-17(12)14(19)13(11)18)23-15(20)9-5-3-2-4-6-9/h2-6,10-13,18H,7-8H2,1H3
InChIKey
QKGZHELRJBIBHD-UHFFFAOYSA-N
Compound name
methyl 7-benzoyloxy-2-hydroxy-3-oxo-1,2,5,6,7,8-hexahydropyrrolizine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.1056 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.11288 170.7
[M+Na]+ 342.09482 177.1
[M-H]- 318.09832 176.0
[M+NH4]+ 337.13942 187.4
[M+K]+ 358.06876 175.2
[M+H-H2O]+ 302.10286 164.7
[M+HCOO]- 364.10380 188.3
[M+CH3COO]- 378.11945 202.5
[M+Na-2H]- 340.08027 167.9
[M]+ 319.10505 172.0
[M]- 319.10615 172.0
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.